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

C13H18N2O3 — CID 113394807

IUPACN-(2-hydroxycycloheptyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCCCC1O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H18N2O3/c16-11-5-3-1-2-4-10(11)15-13(18)9-6-7-12(17)14-8-9/h6-8,10-11,16H,1-5H2,(H,14,17)(H,15,18)
InChIKeyFCKRDQLZBQJBEV-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.80
Rot. Bonds2

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

N-(2-hydroxycycloheptyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 113394807) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(2-hydroxycycloheptyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycycloheptyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID113394807
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(2-hydroxycycloheptyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCCCC1O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H18N2O3/c16-11-5-3-1-2-4-10(11)15-13(18)9-6-7-12(17)14-8-9/h6-8,10-11,16H,1-5H2,(H,14,17)(H,15,18)
InChIKeyFCKRDQLZBQJBEV-UHFFFAOYSA-N
XLogP0.80
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylcyclopentyl)-6-oxo-1H-pyridine-3-carboxamide
CID 63279324
N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide
CID 51896530
4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide
CID 101152324
6-oxo-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-1H-pyridine-3-carboxamide
CID 133260544
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 62365415
4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 27109566
4-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 3294155
4-(dimethylamino)-N-[(2S)-2-hydroxycyclohexyl]benzamide
CID 134880490
N-(2-hydroxycyclohexyl)-4-(methylamino)benzamide
CID 62360968
4-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808216
N-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 63361586

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycycloheptyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxycycloheptyl)-6-oxo-1H-pyridine-3-carboxamide (CID 113394807) is N-(2-hydroxycycloheptyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxycycloheptyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxycycloheptyl)-6-oxo-1H-pyridine-3-carboxamide is O=C(NC1CCCCCC1O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(2-hydroxycycloheptyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is FCKRDQLZBQJBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-11-5-3-1-2-4-10(11)15-13(18)9-6-7-12(17)14-8-9/h6-8,10-11,16H,1-5H2,(H,14,17)(H,15,18).
What are the key properties of N-(2-hydroxycycloheptyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(2-hydroxycycloheptyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycycloheptyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 113394807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).