4-hydroxy-N-[(2S)-3-phenyl-2-pyridin-2-ylpropyl]-3-(prop-2-enoylamino)benzamide

C24H23N3O3 — CID 156907249

IUPAC4-hydroxy-N-[(2S)-3-phenyl-2-pyridin-2-ylpropyl]-3-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1cc(C(=O)NC[C@H](Cc2ccccc2)c2ccccn2)ccc1O
InChIInChI=1S/C24H23N3O3/c1-2-23(29)27-21-15-18(11-12-22(21)28)24(30)26-16-19(20-10-6-7-13-25-20)14-17-8-4-3-5-9-17/h2-13,15,19,28H,1,14,16H2,(H,26,30)(H,27,29)/t19-/m0/s1
InChIKeyGBFQZRQPLRMNKT-IBGZPJMESA-N
MW401.47 g/mol
LogP3.67
Rot. Bonds8

About 4-hydroxy-N-[(2S)-3-phenyl-2-pyridin-2-ylpropyl]-3-(prop-2-enoylamino)benzamide

4-hydroxy-N-[(2S)-3-phenyl-2-pyridin-2-ylpropyl]-3-(prop-2-enoylamino)benzamide (PubChem CID 156907249) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-hydroxy-N-[(2S)-3-phenyl-2-pyridin-2-ylpropyl]-3-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(2S)-3-phenyl-2-pyridin-2-ylpropyl]-3-(prop-2-enoylamino)benzamide
PubChem CID156907249
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name4-hydroxy-N-[(2S)-3-phenyl-2-pyridin-2-ylpropyl]-3-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1cc(C(=O)NC[C@H](Cc2ccccc2)c2ccccn2)ccc1O
InChIInChI=1S/C24H23N3O3/c1-2-23(29)27-21-15-18(11-12-22(21)28)24(30)26-16-19(20-10-6-7-13-25-20)14-17-8-4-3-5-9-17/h2-13,15,19,28H,1,14,16H2,(H,26,30)(H,27,29)/t19-/m0/s1
InChIKeyGBFQZRQPLRMNKT-IBGZPJMESA-N
XLogP3.67
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

GR-55562
CID 128018
N-(2-hydroxy-5-phenylphenyl)-4-{[(pyridin-3-ylmethyl)amino]methyl}benzamide
CID 25159049
N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25159052
N-(2-hydroxy-5-phenylphenyl)-4-({[1-(pyridin-4-yl)ethyl]amino}methyl)benzamide
CID 25218547
N-{4-[(4-Hydroxy-3-Nitrobenzoyl)amino]phenyl}pyridine-2-Carboxamide
CID 78673833
2-[5-[(4-Hydroxyphenyl)carbonylamino]-2-Oxidanyl-Phenyl]pyridine-4-Carboxylic Acid
CID 135567041
3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 2965131
N-[5-(butan-2-yl)-2-hydroxyphenyl]pyridine-3-carboxamide
CID 2999843
N-[(8-hydroxyquinolin-5-yl)methyl]-4-methylbenzamide
CID 45112798
4-hydroxy-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)pyridin-2-yl]methyl]benzamide
CID 89642036
N-(5-fluoro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25218550
N-(2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25218552

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(2S)-3-phenyl-2-pyridin-2-ylpropyl]-3-(prop-2-enoylamino)benzamide?
The IUPAC name of 4-hydroxy-N-[(2S)-3-phenyl-2-pyridin-2-ylpropyl]-3-(prop-2-enoylamino)benzamide (CID 156907249) is 4-hydroxy-N-[(2S)-3-phenyl-2-pyridin-2-ylpropyl]-3-(prop-2-enoylamino)benzamide.
What is the SMILES notation for 4-hydroxy-N-[(2S)-3-phenyl-2-pyridin-2-ylpropyl]-3-(prop-2-enoylamino)benzamide?
The canonical SMILES for 4-hydroxy-N-[(2S)-3-phenyl-2-pyridin-2-ylpropyl]-3-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1cc(C(=O)NC[C@H](Cc2ccccc2)c2ccccn2)ccc1O.
What is the InChIKey of 4-hydroxy-N-[(2S)-3-phenyl-2-pyridin-2-ylpropyl]-3-(prop-2-enoylamino)benzamide?
The InChIKey is GBFQZRQPLRMNKT-IBGZPJMESA-N. The full InChI is InChI=1S/C24H23N3O3/c1-2-23(29)27-21-15-18(11-12-22(21)28)24(30)26-16-19(20-10-6-7-13-25-20)14-17-8-4-3-5-9-17/h2-13,15,19,28H,1,14,16H2,(H,26,30)(H,27,29)/t19-/m0/s1.
What are the key properties of 4-hydroxy-N-[(2S)-3-phenyl-2-pyridin-2-ylpropyl]-3-(prop-2-enoylamino)benzamide?
4-hydroxy-N-[(2S)-3-phenyl-2-pyridin-2-ylpropyl]-3-(prop-2-enoylamino)benzamide has a molecular weight of 401.47 g/mol, XLogP of 3.67, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(2S)-3-phenyl-2-pyridin-2-ylpropyl]-3-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 156907249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).