(2R)-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide

C20H30N4O2 — CID 25311957

IUPAC(2R)-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
SMILESC[C@H](C(=O)NCc1cccnc1N(C)C1CCCCC1)N1CCCC1=O
InChIInChI=1S/C20H30N4O2/c1-15(24-13-7-11-18(24)25)20(26)22-14-16-8-6-12-21-19(16)23(2)17-9-4-3-5-10-17/h6,8,12,15,17H,3-5,7,9-11,13-14H2,1-2H3,(H,22,26)/t15-/m1/s1
InChIKeyVNQBAFZANJQJON-OAHLLOKOSA-N
MW358.49 g/mol
LogP2.48
Rot. Bonds6

About (2R)-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide

(2R)-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide (PubChem CID 25311957) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is (2R)-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
PubChem CID25311957
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name(2R)-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
SMILESC[C@H](C(=O)NCc1cccnc1N(C)C1CCCCC1)N1CCCC1=O
InChIInChI=1S/C20H30N4O2/c1-15(24-13-7-11-18(24)25)20(26)22-14-16-8-6-12-21-19(16)23(2)17-9-4-3-5-10-17/h6,8,12,15,17H,3-5,7,9-11,13-14H2,1-2H3,(H,22,26)/t15-/m1/s1
InChIKeyVNQBAFZANJQJON-OAHLLOKOSA-N
XLogP2.48
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[1-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate
CID 56739674
N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 26333850
N-cyclohexyl-3-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62285464
N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62285463
N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]pyrimidin-2-amine
CID 42148071
N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 42189481
[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methanol
CID 61252621
N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 25296594
(2R)-2-(2-oxopyrrolidin-1-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
CID 95717558
(2R)-N-[(2-amino-3-pyridinyl)methyl]-2-[cyclohexyl(methyl)amino]propanamide
CID 125443806
1-[1-[3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one
CID 110242149
1-[(2R)-1-[(3S)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one
CID 92550963

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide?
The IUPAC name of (2R)-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide (CID 25311957) is (2R)-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide?
The canonical SMILES for (2R)-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide is C[C@H](C(=O)NCc1cccnc1N(C)C1CCCCC1)N1CCCC1=O.
What is the InChIKey of (2R)-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide?
The InChIKey is VNQBAFZANJQJON-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-15(24-13-7-11-18(24)25)20(26)22-14-16-8-6-12-21-19(16)23(2)17-9-4-3-5-10-17/h6,8,12,15,17H,3-5,7,9-11,13-14H2,1-2H3,(H,22,26)/t15-/m1/s1.
What are the key properties of (2R)-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide?
(2R)-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide has a molecular weight of 358.49 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 25311957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).