6-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-2-carboxamide

C12H15N3O3 — CID 107262114

IUPAC6-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-2-carboxamide
SMILESO=C(NC1CCCCNC1=O)c1cccc(=O)[nH]1
InChIInChI=1S/C12H15N3O3/c16-10-6-3-5-9(14-10)12(18)15-8-4-1-2-7-13-11(8)17/h3,5-6,8H,1-2,4,7H2,(H,13,17)(H,14,16)(H,15,18)
InChIKeyXLIDYJNMBHISCM-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.23
Rot. Bonds2

About 6-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-2-carboxamide

6-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-2-carboxamide (PubChem CID 107262114) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-2-carboxamide
PubChem CID107262114
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name6-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-2-carboxamide
SMILESO=C(NC1CCCCNC1=O)c1cccc(=O)[nH]1
InChIInChI=1S/C12H15N3O3/c16-10-6-3-5-9(14-10)12(18)15-8-4-1-2-7-13-11(8)17/h3,5-6,8H,1-2,4,7H2,(H,13,17)(H,14,16)(H,15,18)
InChIKeyXLIDYJNMBHISCM-UHFFFAOYSA-N
XLogP-0.23
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]benzoic acid
CID 6930768
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide
CID 114344266
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
3-methoxy-N-(2-oxoazepan-3-yl)benzamide
CID 15069514
2-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 47478270
4-(bromomethyl)-N-(2-oxoazepan-3-yl)benzamide
CID 102851110
N-[(3R)-2-oxoazepan-3-yl]-1H-indole-6-carboxamide
CID 6713907
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
4-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 3531239
N-(2-oxoazepan-3-yl)-3-phenylthiophene-2-carboxamide
CID 51089156
4-bromo-N-(2-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide
CID 47478452

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-2-carboxamide?
The IUPAC name of 6-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-2-carboxamide (CID 107262114) is 6-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-2-carboxamide.
What is the SMILES notation for 6-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-2-carboxamide?
The canonical SMILES for 6-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-2-carboxamide is O=C(NC1CCCCNC1=O)c1cccc(=O)[nH]1.
What is the InChIKey of 6-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-2-carboxamide?
The InChIKey is XLIDYJNMBHISCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-10-6-3-5-9(14-10)12(18)15-8-4-1-2-7-13-11(8)17/h3,5-6,8H,1-2,4,7H2,(H,13,17)(H,14,16)(H,15,18).
What are the key properties of 6-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-2-carboxamide?
6-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-2-carboxamide has a molecular weight of 249.27 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-2-carboxamide is sourced from PubChem (CID 107262114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).