5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-carboxamide

C14H13ClN2O2 — CID 107231717

IUPAC5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(CO)cc1)c1ccc(Cl)cn1
InChIInChI=1S/C14H13ClN2O2/c15-12-5-6-13(16-8-12)14(19)17-7-10-1-3-11(9-18)4-2-10/h1-6,8,18H,7,9H2,(H,17,19)
InChIKeyDBABCRYBZXWVSY-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.16
Rot. Bonds4

About 5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-carboxamide

5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 107231717) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-carboxamide
PubChem CID107231717
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(CO)cc1)c1ccc(Cl)cn1
InChIInChI=1S/C14H13ClN2O2/c15-12-5-6-13(16-8-12)14(19)17-7-10-1-3-11(9-18)4-2-10/h1-6,8,18H,7,9H2,(H,17,19)
InChIKeyDBABCRYBZXWVSY-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

5-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-2-carboxamide
CID 105062322
N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281984
5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109190050
5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107230315
N-[[4-(hydroxymethyl)phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 107232610
N-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-carboxamide
CID 109190063
5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190073
5-(aminomethyl)-N-benzylpyridine-2-carboxamide
CID 55230776
5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109282005
N-[(4-chlorophenyl)methyl]-6-[(4-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348666
ethyl 5-[[(5-chloropyridine-2-carbonyl)amino]methyl]furan-2-carboxylate
CID 84586320
N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435772

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-carboxamide (CID 107231717) is 5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-carboxamide is O=C(NCc1ccc(CO)cc1)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is DBABCRYBZXWVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-12-5-6-13(16-8-12)14(19)17-7-10-1-3-11(9-18)4-2-10/h1-6,8,18H,7,9H2,(H,17,19).
What are the key properties of 5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-carboxamide?
5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-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 5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 107231717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).