6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylpyridine-2-carboxamide

C17H19N3O2 — CID 117092889

IUPAC6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylpyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cccc(N2CCCC2CO)n1
InChIInChI=1S/C17H19N3O2/c21-12-14-8-5-11-20(14)16-10-4-9-15(19-16)17(22)18-13-6-2-1-3-7-13/h1-4,6-7,9-10,14,21H,5,8,11-12H2,(H,18,22)
InChIKeyCTHJDIWWGVNBIM-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.30
Rot. Bonds4

About 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylpyridine-2-carboxamide

6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylpyridine-2-carboxamide (PubChem CID 117092889) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylpyridine-2-carboxamide
PubChem CID117092889
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylpyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cccc(N2CCCC2CO)n1
InChIInChI=1S/C17H19N3O2/c21-12-14-8-5-11-20(14)16-10-4-9-15(19-16)17(22)18-13-6-2-1-3-7-13/h1-4,6-7,9-10,14,21H,5,8,11-12H2,(H,18,22)
InChIKeyCTHJDIWWGVNBIM-UHFFFAOYSA-N
XLogP2.30
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
CID 117088422
6-[2-(methylsulfamoylmethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122054195
(3R)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N-phenylpiperidine-3-carboxamide
CID 124857501
ethane;2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylquinoline-4-carboxamide
CID 70132088
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxylic acid
CID 167808639
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 115914691
1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-phenylurea
CID 90619144
N-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573584
N-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312492
[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 62770947
6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122048644

Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylpyridine-2-carboxamide?
The IUPAC name of 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylpyridine-2-carboxamide (CID 117092889) is 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylpyridine-2-carboxamide is O=C(Nc1ccccc1)c1cccc(N2CCCC2CO)n1.
What is the InChIKey of 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylpyridine-2-carboxamide?
The InChIKey is CTHJDIWWGVNBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-12-14-8-5-11-20(14)16-10-4-9-15(19-16)17(22)18-13-6-2-1-3-7-13/h1-4,6-7,9-10,14,21H,5,8,11-12H2,(H,18,22).
What are the key properties of 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylpyridine-2-carboxamide?
6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylpyridine-2-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 117092889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).