N-[(3R,4S)-3-[benzoyl(methyl)amino]-4-hydroxy-4-phenylbutyl]pyridine-2-carboxamide

C24H25N3O3 — CID 59475150

IUPACN-[(3R,4S)-3-[benzoyl(methyl)amino]-4-hydroxy-4-phenylbutyl]pyridine-2-carboxamide
SMILESCN(C(=O)c1ccccc1)[C@H](CCNC(=O)c1ccccn1)[C@@H](O)c1ccccc1
InChIInChI=1S/C24H25N3O3/c1-27(24(30)19-12-6-3-7-13-19)21(22(28)18-10-4-2-5-11-18)15-17-26-23(29)20-14-8-9-16-25-20/h2-14,16,21-22,28H,15,17H2,1H3,(H,26,29)/t21-,22+/m1/s1
InChIKeyXRKUCYYFDMRYIS-YADHBBJMSA-N
MW403.48 g/mol
LogP3.08
Rot. Bonds8

About N-[(3R,4S)-3-[benzoyl(methyl)amino]-4-hydroxy-4-phenylbutyl]pyridine-2-carboxamide

N-[(3R,4S)-3-[benzoyl(methyl)amino]-4-hydroxy-4-phenylbutyl]pyridine-2-carboxamide (PubChem CID 59475150) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[(3R,4S)-3-[benzoyl(methyl)amino]-4-hydroxy-4-phenylbutyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-[benzoyl(methyl)amino]-4-hydroxy-4-phenylbutyl]pyridine-2-carboxamide
PubChem CID59475150
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[(3R,4S)-3-[benzoyl(methyl)amino]-4-hydroxy-4-phenylbutyl]pyridine-2-carboxamide
SMILESCN(C(=O)c1ccccc1)[C@H](CCNC(=O)c1ccccn1)[C@@H](O)c1ccccc1
InChIInChI=1S/C24H25N3O3/c1-27(24(30)19-12-6-3-7-13-19)21(22(28)18-10-4-2-5-11-18)15-17-26-23(29)20-14-8-9-16-25-20/h2-14,16,21-22,28H,15,17H2,1H3,(H,26,29)/t21-,22+/m1/s1
InChIKeyXRKUCYYFDMRYIS-YADHBBJMSA-N
XLogP3.08
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-bromobenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide
CID 46864752
N-[(3S)-3-[(3-methoxybenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide
CID 59475160
N-[2-[methyl-[2-(pyridine-2-carbonylamino)ethyl]amino]ethyl]pyridine-2-carboxamide
CID 15495474
N-[(2R)-2-phenylpropyl]pyridine-2-carboxamide
CID 9302014
N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 31316694
N-[2-(diethylamino)-2-phenylethyl]pyridine-2-carboxamide
CID 42917068
N-[hydroxy(phenyl)methyl]-N-methylbenzamide
CID 134892565
N-phenacylpyridine-2-carboxamide
CID 64991609
N-[3-[1-benzofuran-5-carbonyl(methyl)amino]-4-phenylbutyl]pyridine-2-carboxamide
CID 46864903
N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide
CID 114308424
N-[2-[N-[2-(pyridine-2-carbonylamino)ethyl]anilino]ethyl]pyridine-2-carboxamide
CID 139085666
N-(2-bromoethyl)pyridine-2-carboxamide
CID 12983473

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-[benzoyl(methyl)amino]-4-hydroxy-4-phenylbutyl]pyridine-2-carboxamide?
The IUPAC name of N-[(3R,4S)-3-[benzoyl(methyl)amino]-4-hydroxy-4-phenylbutyl]pyridine-2-carboxamide (CID 59475150) is N-[(3R,4S)-3-[benzoyl(methyl)amino]-4-hydroxy-4-phenylbutyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-3-[benzoyl(methyl)amino]-4-hydroxy-4-phenylbutyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-3-[benzoyl(methyl)amino]-4-hydroxy-4-phenylbutyl]pyridine-2-carboxamide is CN(C(=O)c1ccccc1)[C@H](CCNC(=O)c1ccccn1)[C@@H](O)c1ccccc1.
What is the InChIKey of N-[(3R,4S)-3-[benzoyl(methyl)amino]-4-hydroxy-4-phenylbutyl]pyridine-2-carboxamide?
The InChIKey is XRKUCYYFDMRYIS-YADHBBJMSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-27(24(30)19-12-6-3-7-13-19)21(22(28)18-10-4-2-5-11-18)15-17-26-23(29)20-14-8-9-16-25-20/h2-14,16,21-22,28H,15,17H2,1H3,(H,26,29)/t21-,22+/m1/s1.
What are the key properties of N-[(3R,4S)-3-[benzoyl(methyl)amino]-4-hydroxy-4-phenylbutyl]pyridine-2-carboxamide?
N-[(3R,4S)-3-[benzoyl(methyl)amino]-4-hydroxy-4-phenylbutyl]pyridine-2-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-[benzoyl(methyl)amino]-4-hydroxy-4-phenylbutyl]pyridine-2-carboxamide is sourced from PubChem (CID 59475150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).