N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridine-2-carboxamide

C13H18N2O3 — CID 106122042

IUPACN-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NCC1CCC(O)CC1)c1cccc(=O)[nH]1
InChIInChI=1S/C13H18N2O3/c16-10-6-4-9(5-7-10)8-14-13(18)11-2-1-3-12(17)15-11/h1-3,9-10,16H,4-8H2,(H,14,18)(H,15,17)
InChIKeyCURQAZYPWIEHFG-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.66
Rot. Bonds3

About N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridine-2-carboxamide

N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 106122042) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID106122042
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NCC1CCC(O)CC1)c1cccc(=O)[nH]1
InChIInChI=1S/C13H18N2O3/c16-10-6-4-9(5-7-10)8-14-13(18)11-2-1-3-12(17)15-11/h1-3,9-10,16H,4-8H2,(H,14,18)(H,15,17)
InChIKeyCURQAZYPWIEHFG-UHFFFAOYSA-N
XLogP0.66
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,1-dioxothiolan-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040333
N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 106121318
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide
CID 106123854
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 125165420
3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119090
6-oxo-N-[3-(oxolan-2-ylmethoxy)propyl]-1H-pyridine-2-carboxamide
CID 107261499
N-[(4-hydroxycyclohexyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 106124618
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 166617183
N-[(3-hydroxycyclopentyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 103279780
N-[2-(methylamino)-2-oxoethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261659
N-(4-methoxybutyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261784
N-[(4-hydroxycyclohexyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 106123427

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridine-2-carboxamide (CID 106122042) is N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridine-2-carboxamide is O=C(NCC1CCC(O)CC1)c1cccc(=O)[nH]1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is CURQAZYPWIEHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-10-6-4-9(5-7-10)8-14-13(18)11-2-1-3-12(17)15-11/h1-3,9-10,16H,4-8H2,(H,14,18)(H,15,17).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 106122042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).