3-hydroxy-N-[(1-methylpyrrol-3-yl)methyl]pyridine-4-carboxamide

C12H13N3O2 — CID 113257065

IUPAC3-hydroxy-N-[(1-methylpyrrol-3-yl)methyl]pyridine-4-carboxamide
SMILESCn1ccc(CNC(=O)c2ccncc2O)c1
InChIInChI=1S/C12H13N3O2/c1-15-5-3-9(8-15)6-14-12(17)10-2-4-13-7-11(10)16/h2-5,7-8,16H,6H2,1H3,(H,14,17)
InChIKeyKGMWIXCSNLHWEV-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.06
Rot. Bonds3

About 3-hydroxy-N-[(1-methylpyrrol-3-yl)methyl]pyridine-4-carboxamide

3-hydroxy-N-[(1-methylpyrrol-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 113257065) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-hydroxy-N-[(1-methylpyrrol-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(1-methylpyrrol-3-yl)methyl]pyridine-4-carboxamide
PubChem CID113257065
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name3-hydroxy-N-[(1-methylpyrrol-3-yl)methyl]pyridine-4-carboxamide
SMILESCn1ccc(CNC(=O)c2ccncc2O)c1
InChIInChI=1S/C12H13N3O2/c1-15-5-3-9(8-15)6-14-12(17)10-2-4-13-7-11(10)16/h2-5,7-8,16H,6H2,1H3,(H,14,17)
InChIKeyKGMWIXCSNLHWEV-UHFFFAOYSA-N
XLogP1.06
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 112550399
3-hydroxy-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide
CID 103762370
6-chloro-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
CID 106551470
2-hydroxy-3-methoxy-N-[(1-methylpyrrol-3-yl)methyl]benzamide
CID 103721972
tris(3-hydroxy-N-methylpyridine-4-carboxamide);iron
CID 163419095
N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 113252821
5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136512225
2-[2-[[(3-hydroxypyridine-4-carbonyl)amino]methyl]phenyl]acetic acid
CID 81439005
5-bromo-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]benzamide
CID 103722044
3-hydroxy-N-[(4-methylthiophen-3-yl)methyl]pyridine-4-carboxamide
CID 81443108
5-bromo-2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzamide
CID 103721969
5-chloro-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
CID 107257953

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(1-methylpyrrol-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-[(1-methylpyrrol-3-yl)methyl]pyridine-4-carboxamide (CID 113257065) is 3-hydroxy-N-[(1-methylpyrrol-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(1-methylpyrrol-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(1-methylpyrrol-3-yl)methyl]pyridine-4-carboxamide is Cn1ccc(CNC(=O)c2ccncc2O)c1.
What is the InChIKey of 3-hydroxy-N-[(1-methylpyrrol-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is KGMWIXCSNLHWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15-5-3-9(8-15)6-14-12(17)10-2-4-13-7-11(10)16/h2-5,7-8,16H,6H2,1H3,(H,14,17).
What are the key properties of 3-hydroxy-N-[(1-methylpyrrol-3-yl)methyl]pyridine-4-carboxamide?
3-hydroxy-N-[(1-methylpyrrol-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(1-methylpyrrol-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 113257065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).