5-[(2-hydroxyethylamino)methyl]-4-methyl-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide

C23H25N3O2 — CID 129240409

IUPAC5-[(2-hydroxyethylamino)methyl]-4-methyl-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(-c3ccccc3)c2C)ncc1CNCCO
InChIInChI=1S/C23H25N3O2/c1-16-13-22(25-15-19(16)14-24-11-12-27)23(28)26-21-10-6-9-20(17(21)2)18-7-4-3-5-8-18/h3-10,13,15,24,27H,11-12,14H2,1-2H3,(H,26,28)
InChIKeyJIWMSDANMZCAFN-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.70
Rot. Bonds7

About 5-[(2-hydroxyethylamino)methyl]-4-methyl-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide

5-[(2-hydroxyethylamino)methyl]-4-methyl-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide (PubChem CID 129240409) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-[(2-hydroxyethylamino)methyl]-4-methyl-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(2-hydroxyethylamino)methyl]-4-methyl-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide
PubChem CID129240409
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name5-[(2-hydroxyethylamino)methyl]-4-methyl-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(-c3ccccc3)c2C)ncc1CNCCO
InChIInChI=1S/C23H25N3O2/c1-16-13-22(25-15-19(16)14-24-11-12-27)23(28)26-21-10-6-9-20(17(21)2)18-7-4-3-5-8-18/h3-10,13,15,24,27H,11-12,14H2,1-2H3,(H,26,28)
InChIKeyJIWMSDANMZCAFN-UHFFFAOYSA-N
XLogP3.70
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-(2,2'-Dimethyl-[1,1'-biphenyl]-3,3'-diyl)bis(5-(((2-hydroxyethyl)amino)methyl)picolinamide)
CID 139537190
N-methyl-5-(2-(2-methyl-5-((3-(trifluoromethyl)phenyl)carbamoyl)phenyl)ethynyl)picolinamide
CID 11669282
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide
CID 76903444
N-(pyridin-3-yl)biphenyl-2-carboxamide
CID 679747
N-(1-Phenylcarbamoyl-2-pyridin-4-yl-vinyl)-benzamide
CID 5409139
Hydroxyethylamine-based inhibitor 16c
CID 6539269
Hydroxyethylamine-based inhibitor 17c
CID 6539275
N-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)benzamide
CID 22245146
N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide
CID 3205996
N-(2-phenyl-1-{[(3-pyridinylmethyl)amino]carbonyl}vinyl)benzamide
CID 2176997
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-2-carboxamide
CID 2986253
Pyridine-2-carboxylic acid [2-(2-methyl-benzoylamino)-ethyl]-amide
CID 2988504

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxyethylamino)methyl]-4-methyl-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(2-hydroxyethylamino)methyl]-4-methyl-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide (CID 129240409) is 5-[(2-hydroxyethylamino)methyl]-4-methyl-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(2-hydroxyethylamino)methyl]-4-methyl-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(2-hydroxyethylamino)methyl]-4-methyl-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide is Cc1cc(C(=O)Nc2cccc(-c3ccccc3)c2C)ncc1CNCCO.
What is the InChIKey of 5-[(2-hydroxyethylamino)methyl]-4-methyl-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide?
The InChIKey is JIWMSDANMZCAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-13-22(25-15-19(16)14-24-11-12-27)23(28)26-21-10-6-9-20(17(21)2)18-7-4-3-5-8-18/h3-10,13,15,24,27H,11-12,14H2,1-2H3,(H,26,28).
What are the key properties of 5-[(2-hydroxyethylamino)methyl]-4-methyl-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide?
5-[(2-hydroxyethylamino)methyl]-4-methyl-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxyethylamino)methyl]-4-methyl-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 129240409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).