N-[(4-hydroxycyclohexyl)methyl]-4-oxo-1H-pyridine-3-carboxamide

C13H18N2O3 — CID 106124618

IUPACN-[(4-hydroxycyclohexyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC1CCC(O)CC1)c1c[nH]ccc1=O
InChIInChI=1S/C13H18N2O3/c16-10-3-1-9(2-4-10)7-15-13(18)11-8-14-6-5-12(11)17/h5-6,8-10,16H,1-4,7H2,(H,14,17)(H,15,18)
InChIKeyOMOHOTWOTTUXJM-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.66
Rot. Bonds3

About N-[(4-hydroxycyclohexyl)methyl]-4-oxo-1H-pyridine-3-carboxamide

N-[(4-hydroxycyclohexyl)methyl]-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 106124618) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
PubChem CID106124618
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC1CCC(O)CC1)c1c[nH]ccc1=O
InChIInChI=1S/C13H18N2O3/c16-10-3-1-9(2-4-10)7-15-13(18)11-8-14-6-5-12(11)17/h5-6,8-10,16H,1-4,7H2,(H,14,17)(H,15,18)
InChIKeyOMOHOTWOTTUXJM-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-cyclopropyl-4-oxo-1H-pyridine-3-carboxamide
CID 103336778
N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 106121318
N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide
CID 103336788
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide
CID 106123854
3-bromo-N-[(4-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 114146596
3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119090
5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 114146514
N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 106122042
5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119078
2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106137131
N-[(4-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
CID 106122361
N-[(3-hydroxycyclopentyl)methyl]-1H-indole-3-carboxamide
CID 103280554

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-4-oxo-1H-pyridine-3-carboxamide (CID 106124618) is N-[(4-hydroxycyclohexyl)methyl]-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-4-oxo-1H-pyridine-3-carboxamide is O=C(NCC1CCC(O)CC1)c1c[nH]ccc1=O.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is OMOHOTWOTTUXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-10-3-1-9(2-4-10)7-15-13(18)11-8-14-6-5-12(11)17/h5-6,8-10,16H,1-4,7H2,(H,14,17)(H,15,18).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
N-[(4-hydroxycyclohexyl)methyl]-4-oxo-1H-pyridine-3-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]-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 106124618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).