4-methyl-2-oxo-N-(7-oxoazepan-4-yl)-1H-pyridine-3-carboxamide

C13H17N3O3 — CID 138036113

IUPAC4-methyl-2-oxo-N-(7-oxoazepan-4-yl)-1H-pyridine-3-carboxamide
SMILESCc1cc[nH]c(=O)c1C(=O)NC1CCNC(=O)CC1
InChIInChI=1S/C13H17N3O3/c1-8-4-6-15-12(18)11(8)13(19)16-9-2-3-10(17)14-7-5-9/h4,6,9H,2-3,5,7H2,1H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyDFIVQTJULKHDTN-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.08
Rot. Bonds2

About 4-methyl-2-oxo-N-(7-oxoazepan-4-yl)-1H-pyridine-3-carboxamide

4-methyl-2-oxo-N-(7-oxoazepan-4-yl)-1H-pyridine-3-carboxamide (PubChem CID 138036113) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-(7-oxoazepan-4-yl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-(7-oxoazepan-4-yl)-1H-pyridine-3-carboxamide
PubChem CID138036113
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-methyl-2-oxo-N-(7-oxoazepan-4-yl)-1H-pyridine-3-carboxamide
SMILESCc1cc[nH]c(=O)c1C(=O)NC1CCNC(=O)CC1
InChIInChI=1S/C13H17N3O3/c1-8-4-6-15-12(18)11(8)13(19)16-9-2-3-10(17)14-7-5-9/h4,6,9H,2-3,5,7H2,1H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyDFIVQTJULKHDTN-UHFFFAOYSA-N
XLogP0.08
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dimethyl-2-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 103429074
N-(7-oxoazepan-4-yl)propanamide
CID 131010978
2,2-dimethyl-N-(7-oxoazepan-4-yl)-3H-1-benzofuran-5-carboxamide
CID 138002572
2-oxo-N-(6-oxopiperidin-3-yl)-1H-pyridine-3-carboxamide
CID 60616083
2-methyl-N-[(3R)-6-oxopiperidin-3-yl]benzamide
CID 70955192
3-methyl-N-(2-oxopiperidin-4-yl)benzamide
CID 112534523
2,6-dichloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55246624
N-(6-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide
CID 62491246
2-hydroxy-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63373409
3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662752
1,3,5-trimethyl-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide
CID 62896612
2-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 80712340

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-(7-oxoazepan-4-yl)-1H-pyridine-3-carboxamide?
The IUPAC name of 4-methyl-2-oxo-N-(7-oxoazepan-4-yl)-1H-pyridine-3-carboxamide (CID 138036113) is 4-methyl-2-oxo-N-(7-oxoazepan-4-yl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-N-(7-oxoazepan-4-yl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-N-(7-oxoazepan-4-yl)-1H-pyridine-3-carboxamide is Cc1cc[nH]c(=O)c1C(=O)NC1CCNC(=O)CC1.
What is the InChIKey of 4-methyl-2-oxo-N-(7-oxoazepan-4-yl)-1H-pyridine-3-carboxamide?
The InChIKey is DFIVQTJULKHDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-4-6-15-12(18)11(8)13(19)16-9-2-3-10(17)14-7-5-9/h4,6,9H,2-3,5,7H2,1H3,(H,14,17)(H,15,18)(H,16,19).
What are the key properties of 4-methyl-2-oxo-N-(7-oxoazepan-4-yl)-1H-pyridine-3-carboxamide?
4-methyl-2-oxo-N-(7-oxoazepan-4-yl)-1H-pyridine-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-(7-oxoazepan-4-yl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 138036113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).