N-benzyl-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide

C18H19N3O3 — CID 4904161

IUPACN-benzyl-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESCOCc1cc(C)n(CC(=O)NCc2ccccc2)c(=O)c1C#N
InChIInChI=1S/C18H19N3O3/c1-13-8-15(12-24-2)16(9-19)18(23)21(13)11-17(22)20-10-14-6-4-3-5-7-14/h3-8H,10-12H2,1-2H3,(H,20,22)
InChIKeyIORNCEPPAFLWJR-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.49
Rot. Bonds6

About N-benzyl-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide

N-benzyl-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide (PubChem CID 4904161) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-benzyl-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide
PubChem CID4904161
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-benzyl-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESCOCc1cc(C)n(CC(=O)NCc2ccccc2)c(=O)c1C#N
InChIInChI=1S/C18H19N3O3/c1-13-8-15(12-24-2)16(9-19)18(23)21(13)11-17(22)20-10-14-6-4-3-5-7-14/h3-8H,10-12H2,1-2H3,(H,20,22)
InChIKeyIORNCEPPAFLWJR-UHFFFAOYSA-N
XLogP1.49
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Cyano-2-oxo-6-p-tolyl-2H-pyridin-1-yl)-N,N-dimethyl-acetamide
CID 6488607
N-benzyl-2-(3-cyano-4,6-dimethyl-2-oxopyridin-1(2H)-yl)acetamide
CID 6462239
N-benzyl-1-butyl-2-oxo-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide
CID 71660062
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxopyridin-1-yl]-N-(3-methylphenyl)acetamide
CID 4904751
2-Oxo-1,2-dihydropyridin-3-yl amide derivative, 6b
CID 44473104
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(3,5-dimethylphenyl)acetamide
CID 967793
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxopyridin-1(2H)-yl]-N-(1-phenylethyl)acetamide
CID 650405
ethyl 1-benzyl-4-(benzylamino)-5-oxo-2H-pyrrole-3-carboxylate
CID 44204271
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxopyridin-1(2H)-yl]-N-(2,6-dimethylphenyl)acetamide
CID 967792
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxopyridin-1(2H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1045717
Ethyl 3-cyano-2-oxo-6-phenyl-1,2-dihydropyridine-4-carboxylate
CID 2726278
2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propan-2-ylacetamide
CID 45267401

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-benzyl-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide (CID 4904161) is N-benzyl-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-benzyl-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-benzyl-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide is COCc1cc(C)n(CC(=O)NCc2ccccc2)c(=O)c1C#N.
What is the InChIKey of N-benzyl-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The InChIKey is IORNCEPPAFLWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-8-15(12-24-2)16(9-19)18(23)21(13)11-17(22)20-10-14-6-4-3-5-7-14/h3-8H,10-12H2,1-2H3,(H,20,22).
What are the key properties of N-benzyl-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide?
N-benzyl-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide has a molecular weight of 325.37 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 4904161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).