2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide

C14H20N4O3 — CID 103717962

IUPAC2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide
SMILESCc1cc(=O)c(C(=O)N2CCCN(CC(N)=O)CC2)c[nH]1
InChIInChI=1S/C14H20N4O3/c1-10-7-12(19)11(8-16-10)14(21)18-4-2-3-17(5-6-18)9-13(15)20/h7-8H,2-6,9H2,1H3,(H2,15,20)(H,16,19)
InChIKeyPIDCEEFYUZXPKF-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.68
Rot. Bonds3

About 2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide

2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 103717962) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide
PubChem CID103717962
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide
SMILESCc1cc(=O)c(C(=O)N2CCCN(CC(N)=O)CC2)c[nH]1
InChIInChI=1S/C14H20N4O3/c1-10-7-12(19)11(8-16-10)14(21)18-4-2-3-17(5-6-18)9-13(15)20/h7-8H,2-6,9H2,1H3,(H2,15,20)(H,16,19)
InChIKeyPIDCEEFYUZXPKF-UHFFFAOYSA-N
XLogP-0.68
TPSA99.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]acetonitrile
CID 103718195
1-methyl-4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one
CID 102847836
2-[4-(3-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 64523296
5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103878843
2-methyl-5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyridin-4-one
CID 114172667
2-methyl-5-[4-[(1S)-1-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-4-one
CID 95933968
2-methyl-5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-4-one
CID 103832228
5-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103717991
5-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 127944288
2-(azetidin-1-yl)acetamide
CID 18923030
5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103696163
5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 103946512

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of 2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide (CID 103717962) is 2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for 2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for 2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide is Cc1cc(=O)c(C(=O)N2CCCN(CC(N)=O)CC2)c[nH]1.
What is the InChIKey of 2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is PIDCEEFYUZXPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-10-7-12(19)11(8-16-10)14(21)18-4-2-3-17(5-6-18)9-13(15)20/h7-8H,2-6,9H2,1H3,(H2,15,20)(H,16,19).
What are the key properties of 2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide?
2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 292.34 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 103717962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).