N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-ethoxy-6-methyl-2-pyridinyl)-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide

C43H60ClN9O7 — CID 157460553

IUPACN-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-ethoxy-6-methyl-2-pyridinyl)-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide
SMILESCCOc1ccc(C)nc1NC(=O)C(C)C.COC(=O)c1ccc(C)nc1NC(=O)C(C)C.Cc1ccc(Cl)c(NC(=O)C(C)C)n1.Cc1cncc(NC(=O)C(C)C)n1
InChIInChI=1S/C12H16N2O3.C12H18N2O2.C10H13ClN2O.C9H13N3O/c1-7(2)11(15)14-10-9(12(16)17-4)6-5-8(3)13-10;1-5-16-10-7-6-9(4)13-11(10)14-12(15)8(2)3;1-6(2)10(14)13-9-8(11)5-4-7(3)12-9;1-6(2)9(13)12-8-5-10-4-7(3)11-8/h5-7H,1-4H3,(H,13,14,15);6-8H,5H2,1-4H3,(H,13,14,15);4-6H,1-3H3,(H,12,13,14);4-6H,1-3H3,(H,11,12,13)
InChIKeyBTWJLASFPZKJIX-UHFFFAOYSA-N
MW850.46 g/mol
LogP8.17
Rot. Bonds11

About N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-ethoxy-6-methyl-2-pyridinyl)-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide

N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-ethoxy-6-methyl-2-pyridinyl)-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide (PubChem CID 157460553) has the molecular formula C43H60ClN9O7 and a molecular weight of 850.46 g/mol. Its IUPAC name is N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-ethoxy-6-methyl-2-pyridinyl)-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-ethoxy-6-methyl-2-pyridinyl)-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide
PubChem CID157460553
Molecular FormulaC43H60ClN9O7
Molecular Weight850.46 g/mol
Exact Mass849.43
IUPAC NameN-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-ethoxy-6-methyl-2-pyridinyl)-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide
SMILESCCOc1ccc(C)nc1NC(=O)C(C)C.COC(=O)c1ccc(C)nc1NC(=O)C(C)C.Cc1ccc(Cl)c(NC(=O)C(C)C)n1.Cc1cncc(NC(=O)C(C)C)n1
InChIInChI=1S/C12H16N2O3.C12H18N2O2.C10H13ClN2O.C9H13N3O/c1-7(2)11(15)14-10-9(12(16)17-4)6-5-8(3)13-10;1-5-16-10-7-6-9(4)13-11(10)14-12(15)8(2)3;1-6(2)10(14)13-9-8(11)5-4-7(3)12-9;1-6(2)9(13)12-8-5-10-4-7(3)11-8/h5-7H,1-4H3,(H,13,14,15);6-8H,5H2,1-4H3,(H,13,14,15);4-6H,1-3H3,(H,12,13,14);4-6H,1-3H3,(H,11,12,13)
InChIKeyBTWJLASFPZKJIX-UHFFFAOYSA-N
XLogP8.17
TPSA216.38 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500850.46
LogP ≤ 58.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-ethoxy-6-methyl-2-pyridinyl)-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-ethoxy-6-methyl-2-pyridinyl)-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide?
The IUPAC name of N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-ethoxy-6-methyl-2-pyridinyl)-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide (CID 157460553) is N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-ethoxy-6-methyl-2-pyridinyl)-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide.
What is the SMILES notation for N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-ethoxy-6-methyl-2-pyridinyl)-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide?
The canonical SMILES for N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-ethoxy-6-methyl-2-pyridinyl)-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide is CCOc1ccc(C)nc1NC(=O)C(C)C.COC(=O)c1ccc(C)nc1NC(=O)C(C)C.Cc1ccc(Cl)c(NC(=O)C(C)C)n1.Cc1cncc(NC(=O)C(C)C)n1.
What is the InChIKey of N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-ethoxy-6-methyl-2-pyridinyl)-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide?
The InChIKey is BTWJLASFPZKJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3.C12H18N2O2.C10H13ClN2O.C9H13N3O/c1-7(2)11(15)14-10-9(12(16)17-4)6-5-8(3)13-10;1-5-16-10-7-6-9(4)13-11(10)14-12(15)8(2)3;1-6(2)10(14)13-9-8(11)5-4-7(3)12-9;1-6(2)9(13)12-8-5-10-4-7(3)11-8/h5-7H,1-4H3,(H,13,14,15);6-8H,5H2,1-4H3,(H,13,14,15);4-6H,1-3H3,(H,12,13,14);4-6H,1-3H3,(H,11,12,13).
What are the key properties of N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-ethoxy-6-methyl-2-pyridinyl)-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide?
N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-ethoxy-6-methyl-2-pyridinyl)-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide has a molecular weight of 850.46 g/mol, XLogP of 8.17, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-6-methyl-2-pyridinyl)-2-methylpropanamide;N-(3-ethoxy-6-methyl-2-pyridinyl)-2-methylpropanamide;methyl 6-methyl-2-(2-methylpropanoylamino)pyridine-3-carboxylate;2-methyl-N-(6-methylpyrazin-2-yl)propanamide is sourced from PubChem (CID 157460553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).