1-[[4-(hydroxymethyl)phenyl]methyl]-4H-pyridine-3-carboxamide

C14H16N2O2 — CID 171714571

IUPAC1-[[4-(hydroxymethyl)phenyl]methyl]-4H-pyridine-3-carboxamide
SMILESNC(=O)C1=CN(Cc2ccc(CO)cc2)C=CC1
InChIInChI=1S/C14H16N2O2/c15-14(18)13-2-1-7-16(9-13)8-11-3-5-12(10-17)6-4-11/h1,3-7,9,17H,2,8,10H2,(H2,15,18)
InChIKeyICSSJCKDRDSOOW-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.27
Rot. Bonds4

About 1-[[4-(hydroxymethyl)phenyl]methyl]-4H-pyridine-3-carboxamide

1-[[4-(hydroxymethyl)phenyl]methyl]-4H-pyridine-3-carboxamide (PubChem CID 171714571) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[[4-(hydroxymethyl)phenyl]methyl]-4H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-(hydroxymethyl)phenyl]methyl]-4H-pyridine-3-carboxamide
PubChem CID171714571
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-[[4-(hydroxymethyl)phenyl]methyl]-4H-pyridine-3-carboxamide
SMILESNC(=O)C1=CN(Cc2ccc(CO)cc2)C=CC1
InChIInChI=1S/C14H16N2O2/c15-14(18)13-2-1-7-16(9-13)8-11-3-5-12(10-17)6-4-11/h1,3-7,9,17H,2,8,10H2,(H2,15,18)
InChIKeyICSSJCKDRDSOOW-UHFFFAOYSA-N
XLogP1.27
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methoxyzolpidem
CID 154699860
1-(4-(Hydroxymethyl)benzyl)pyridin-2(1H)-one
CID 90280157
1-(4-(hydroxymethyl)benzyl)-5-(trifluoromethyl)pyridin-2(1H)-one
CID 110005116
1-[[2-Fluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
CID 118212625
1-[[2,5-Difluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
CID 118212736
5-Fluoro-1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
CID 121364677
1-[[2,3-Difluoro-4-(hydroxymethyl)phenyl]methyl]-6-oxopyridine-3-carboxylic acid
CID 140287100
1-[[2-Fluoro-4-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyridin-2-one
CID 144880705
5-Fluoro-1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
CID 167298731
3-Fluoro-1-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
CID 177191339
(3R)-1-[[4-(hydroxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyridine-3-carboxamide
CID 171714570
4,4,4-Trifluoro-3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]butanamide
CID 154796598

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(hydroxymethyl)phenyl]methyl]-4H-pyridine-3-carboxamide?
The IUPAC name of 1-[[4-(hydroxymethyl)phenyl]methyl]-4H-pyridine-3-carboxamide (CID 171714571) is 1-[[4-(hydroxymethyl)phenyl]methyl]-4H-pyridine-3-carboxamide.
What is the SMILES notation for 1-[[4-(hydroxymethyl)phenyl]methyl]-4H-pyridine-3-carboxamide?
The canonical SMILES for 1-[[4-(hydroxymethyl)phenyl]methyl]-4H-pyridine-3-carboxamide is NC(=O)C1=CN(Cc2ccc(CO)cc2)C=CC1.
What is the InChIKey of 1-[[4-(hydroxymethyl)phenyl]methyl]-4H-pyridine-3-carboxamide?
The InChIKey is ICSSJCKDRDSOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-14(18)13-2-1-7-16(9-13)8-11-3-5-12(10-17)6-4-11/h1,3-7,9,17H,2,8,10H2,(H2,15,18).
What are the key properties of 1-[[4-(hydroxymethyl)phenyl]methyl]-4H-pyridine-3-carboxamide?
1-[[4-(hydroxymethyl)phenyl]methyl]-4H-pyridine-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(hydroxymethyl)phenyl]methyl]-4H-pyridine-3-carboxamide is sourced from PubChem (CID 171714571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).