ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;2-methyl-N-[2-(3-methylazetidin-1-yl)ethyl]propanamide;2-methyl-N-[(2-methylidenepyrrolidin-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(4-propanoylphenyl)methyl]propanamide

C98H168N18O13 — CID 167608381

IUPACethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;2-methyl-N-[2-(3-methylazetidin-1-yl)ethyl]propanamide;2-methyl-N-[(2-methylidenepyrrolidin-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(4-propanoylphenyl)methyl]propanamide
SMILESC=C1NCCC1CNC(=O)C(C)C.CC(C)C(=O)NCC1CCN(C)CC1.CC(C)C(=O)NCCN1CCCC1=O.CC(C)C(=O)NCc1ccn(C)c1.CC(C)C(=O)NCc1ccn(C)n1.CC1CCN(CCNC(=O)C(C)C)C1.CC1CN(CCNC(=O)C(C)C)C1.CCC(=O)c1ccc(CNC(=O)C(C)C)cc1.CCOC(=O)c1ccc(CNC(=O)C(C)C)nc1
InChIInChI=1S/C14H19NO2.C13H18N2O3.2C11H22N2O.C10H18N2O2.C10H16N2O.C10H20N2O.C10H18N2O.C9H15N3O/c1-4-13(16)12-7-5-11(6-8-12)9-15-14(17)10(2)3;1-4-18-13(17)10-5-6-11(14-7-10)8-15-12(16)9(2)3;1-9(2)11(14)12-8-10-4-6-13(3)7-5-10;1-9(2)11(14)12-5-7-13-6-4-10(3)8-13;1-8(2)10(14)11-5-7-12-6-3-4-9(12)13;1-8(2)10(13)11-6-9-4-5-12(3)7-9;1-8(2)10(13)11-4-5-12-6-9(3)7-12;1-7(2)10(13)12-6-9-4-5-11-8(9)3;1-7(2)9(13)10-6-8-4-5-12(3)11-8/h5-8,10H,4,9H2,1-3H3,(H,15,17);5-7,9H,4,8H2,1-3H3,(H,15,16);2*9-10H,4-8H2,1-3H3,(H,12,14);8H,3-7H2,1-2H3,(H,11,14);4-5,7-8H,6H2,1-3H3,(H,11,13);8-9H,4-7H2,1-3H3,(H,11,13);7,9,11H,3-6H2,1-2H3,(H,12,13);4-5,7H,6H2,1-3H3,(H,10,13)
InChIKeyKRTLWKXLHWETOL-UHFFFAOYSA-N
MW1806.53 g/mol
LogP10.25
Rot. Bonds34

About ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;2-methyl-N-[2-(3-methylazetidin-1-yl)ethyl]propanamide;2-methyl-N-[(2-methylidenepyrrolidin-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(4-propanoylphenyl)methyl]propanamide

ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;2-methyl-N-[2-(3-methylazetidin-1-yl)ethyl]propanamide;2-methyl-N-[(2-methylidenepyrrolidin-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(4-propanoylphenyl)methyl]propanamide (PubChem CID 167608381) has the molecular formula C98H168N18O13 and a molecular weight of 1806.53 g/mol. Its IUPAC name is ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;2-methyl-N-[2-(3-methylazetidin-1-yl)ethyl]propanamide;2-methyl-N-[(2-methylidenepyrrolidin-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(4-propanoylphenyl)methyl]propanamide.

Molecular Properties

Compound Nameethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;2-methyl-N-[2-(3-methylazetidin-1-yl)ethyl]propanamide;2-methyl-N-[(2-methylidenepyrrolidin-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(4-propanoylphenyl)methyl]propanamide
PubChem CID167608381
Molecular FormulaC98H168N18O13
Molecular Weight1806.53 g/mol
Exact Mass1805.30
IUPAC Nameethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;2-methyl-N-[2-(3-methylazetidin-1-yl)ethyl]propanamide;2-methyl-N-[(2-methylidenepyrrolidin-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(4-propanoylphenyl)methyl]propanamide
SMILESC=C1NCCC1CNC(=O)C(C)C.CC(C)C(=O)NCC1CCN(C)CC1.CC(C)C(=O)NCCN1CCCC1=O.CC(C)C(=O)NCc1ccn(C)c1.CC(C)C(=O)NCc1ccn(C)n1.CC1CCN(CCNC(=O)C(C)C)C1.CC1CN(CCNC(=O)C(C)C)C1.CCC(=O)c1ccc(CNC(=O)C(C)C)cc1.CCOC(=O)c1ccc(CNC(=O)C(C)C)nc1
InChIInChI=1S/C14H19NO2.C13H18N2O3.2C11H22N2O.C10H18N2O2.C10H16N2O.C10H20N2O.C10H18N2O.C9H15N3O/c1-4-13(16)12-7-5-11(6-8-12)9-15-14(17)10(2)3;1-4-18-13(17)10-5-6-11(14-7-10)8-15-12(16)9(2)3;1-9(2)11(14)12-8-10-4-6-13(3)7-5-10;1-9(2)11(14)12-5-7-13-6-4-10(3)8-13;1-8(2)10(14)11-5-7-12-6-3-4-9(12)13;1-8(2)10(13)11-6-9-4-5-12(3)7-9;1-8(2)10(13)11-4-5-12-6-9(3)7-12;1-7(2)10(13)12-6-9-4-5-11-8(9)3;1-7(2)9(13)10-6-8-4-5-12(3)11-8/h5-8,10H,4,9H2,1-3H3,(H,15,17);5-7,9H,4,8H2,1-3H3,(H,15,16);2*9-10H,4-8H2,1-3H3,(H,12,14);8H,3-7H2,1-2H3,(H,11,14);4-5,7-8H,6H2,1-3H3,(H,11,13);8-9H,4-7H2,1-3H3,(H,11,13);7,9,11H,3-6H2,1-2H3,(H,12,13);4-5,7H,6H2,1-3H3,(H,10,13)
InChIKeyKRTLWKXLHWETOL-UHFFFAOYSA-N
XLogP10.25
TPSA382.97 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds34
Heavy Atoms129
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001806.53
LogP ≤ 510.25
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Analyze ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;2-methyl-N-[2-(3-methylazetidin-1-yl)ethyl]propanamide;2-methyl-N-[(2-methylidenepyrrolidin-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(4-propanoylphenyl)methyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;2-methyl-N-[2-(3-methylazetidin-1-yl)ethyl]propanamide;2-methyl-N-[(2-methylidenepyrrolidin-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(4-propanoylphenyl)methyl]propanamide?
The IUPAC name of ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;2-methyl-N-[2-(3-methylazetidin-1-yl)ethyl]propanamide;2-methyl-N-[(2-methylidenepyrrolidin-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(4-propanoylphenyl)methyl]propanamide (CID 167608381) is ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;2-methyl-N-[2-(3-methylazetidin-1-yl)ethyl]propanamide;2-methyl-N-[(2-methylidenepyrrolidin-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(4-propanoylphenyl)methyl]propanamide.
What is the SMILES notation for ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;2-methyl-N-[2-(3-methylazetidin-1-yl)ethyl]propanamide;2-methyl-N-[(2-methylidenepyrrolidin-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(4-propanoylphenyl)methyl]propanamide?
The canonical SMILES for ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;2-methyl-N-[2-(3-methylazetidin-1-yl)ethyl]propanamide;2-methyl-N-[(2-methylidenepyrrolidin-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(4-propanoylphenyl)methyl]propanamide is C=C1NCCC1CNC(=O)C(C)C.CC(C)C(=O)NCC1CCN(C)CC1.CC(C)C(=O)NCCN1CCCC1=O.CC(C)C(=O)NCc1ccn(C)c1.CC(C)C(=O)NCc1ccn(C)n1.CC1CCN(CCNC(=O)C(C)C)C1.CC1CN(CCNC(=O)C(C)C)C1.CCC(=O)c1ccc(CNC(=O)C(C)C)cc1.CCOC(=O)c1ccc(CNC(=O)C(C)C)nc1.
What is the InChIKey of ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;2-methyl-N-[2-(3-methylazetidin-1-yl)ethyl]propanamide;2-methyl-N-[(2-methylidenepyrrolidin-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(4-propanoylphenyl)methyl]propanamide?
The InChIKey is KRTLWKXLHWETOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.C13H18N2O3.2C11H22N2O.C10H18N2O2.C10H16N2O.C10H20N2O.C10H18N2O.C9H15N3O/c1-4-13(16)12-7-5-11(6-8-12)9-15-14(17)10(2)3;1-4-18-13(17)10-5-6-11(14-7-10)8-15-12(16)9(2)3;1-9(2)11(14)12-8-10-4-6-13(3)7-5-10;1-9(2)11(14)12-5-7-13-6-4-10(3)8-13;1-8(2)10(14)11-5-7-12-6-3-4-9(12)13;1-8(2)10(13)11-6-9-4-5-12(3)7-9;1-8(2)10(13)11-4-5-12-6-9(3)7-12;1-7(2)10(13)12-6-9-4-5-11-8(9)3;1-7(2)9(13)10-6-8-4-5-12(3)11-8/h5-8,10H,4,9H2,1-3H3,(H,15,17);5-7,9H,4,8H2,1-3H3,(H,15,16);2*9-10H,4-8H2,1-3H3,(H,12,14);8H,3-7H2,1-2H3,(H,11,14);4-5,7-8H,6H2,1-3H3,(H,11,13);8-9H,4-7H2,1-3H3,(H,11,13);7,9,11H,3-6H2,1-2H3,(H,12,13);4-5,7H,6H2,1-3H3,(H,10,13).
What are the key properties of ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;2-methyl-N-[2-(3-methylazetidin-1-yl)ethyl]propanamide;2-methyl-N-[(2-methylidenepyrrolidin-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(4-propanoylphenyl)methyl]propanamide?
ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;2-methyl-N-[2-(3-methylazetidin-1-yl)ethyl]propanamide;2-methyl-N-[(2-methylidenepyrrolidin-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(4-propanoylphenyl)methyl]propanamide has a molecular weight of 1806.53 g/mol, XLogP of 10.25, 34 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;2-methyl-N-[2-(3-methylazetidin-1-yl)ethyl]propanamide;2-methyl-N-[(2-methylidenepyrrolidin-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide;2-methyl-N-[(4-propanoylphenyl)methyl]propanamide is sourced from PubChem (CID 167608381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).