3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide

C14H13ClN2O2 — CID 66483783

IUPAC3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1cccc(CO)c1)c1ccncc1Cl
InChIInChI=1S/C14H13ClN2O2/c15-13-8-16-5-4-12(13)14(19)17-7-10-2-1-3-11(6-10)9-18/h1-6,8,18H,7,9H2,(H,17,19)
InChIKeyCUQAUPIVLLCTFN-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.16
Rot. Bonds4

About 3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide

3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 66483783) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID66483783
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1cccc(CO)c1)c1ccncc1Cl
InChIInChI=1S/C14H13ClN2O2/c15-13-8-16-5-4-12(13)14(19)17-7-10-2-1-3-11(6-10)9-18/h1-6,8,18H,7,9H2,(H,17,19)
InChIKeyCUQAUPIVLLCTFN-UHFFFAOYSA-N
XLogP2.16
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311480
3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 66482974
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 66484344
3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66462440
3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 115667770
3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-4-carboxamide
CID 105062327
N-[[4-(2-aminoethyl)phenyl]methyl]-3-chloropyridine-4-carboxamide
CID 66482036
5,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 63311124
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylsulfanylbenzamide
CID 63311148
N-[(4-carbamothioylphenyl)methyl]-3-chloropyridine-4-carboxamide
CID 66462420
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 103756187

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide (CID 66483783) is 3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide is O=C(NCc1cccc(CO)c1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is CUQAUPIVLLCTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-13-8-16-5-4-12(13)14(19)17-7-10-2-1-3-11(6-10)9-18/h1-6,8,18H,7,9H2,(H,17,19).
What are the key properties of 3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide?
3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 66483783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).