N-[(2S,3S)-1-[[(3S)-1-hydroxy-2-oxo-5-phenylpentan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide

C23H29N3O4 — CID 23551275

IUPACN-[(2S,3S)-1-[[(3S)-1-hydroxy-2-oxo-5-phenylpentan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccncc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO
InChIInChI=1S/C23H29N3O4/c1-3-16(2)21(26-22(29)18-11-13-24-14-12-18)23(30)25-19(20(28)15-27)10-9-17-7-5-4-6-8-17/h4-8,11-14,16,19,21,27H,3,9-10,15H2,1-2H3,(H,25,30)(H,26,29)/t16-,19-,21-/m0/s1
InChIKeyYLDUJSWYQRGCSH-LRQRDZAKSA-N
MW411.50 g/mol
LogP1.91
Rot. Bonds11

About N-[(2S,3S)-1-[[(3S)-1-hydroxy-2-oxo-5-phenylpentan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide

N-[(2S,3S)-1-[[(3S)-1-hydroxy-2-oxo-5-phenylpentan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide (PubChem CID 23551275) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[(2S,3S)-1-[[(3S)-1-hydroxy-2-oxo-5-phenylpentan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-[[(3S)-1-hydroxy-2-oxo-5-phenylpentan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
PubChem CID23551275
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[(2S,3S)-1-[[(3S)-1-hydroxy-2-oxo-5-phenylpentan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccncc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO
InChIInChI=1S/C23H29N3O4/c1-3-16(2)21(26-22(29)18-11-13-24-14-12-18)23(30)25-19(20(28)15-27)10-9-17-7-5-4-6-8-17/h4-8,11-14,16,19,21,27H,3,9-10,15H2,1-2H3,(H,25,30)(H,26,29)/t16-,19-,21-/m0/s1
InChIKeyYLDUJSWYQRGCSH-LRQRDZAKSA-N
XLogP1.91
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2S,3S)-1-[[(3S)-1-hydroxy-2-oxo-5-phenylpentan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide
CID 39953572
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide
CID 173102117
N-[1-(1-methoxypropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 42988908
N-[(2R,3S)-1-[[(1R)-1-cyclopropylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 98641458
N-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 120507870
benzyl 2-[[(2S,3S)-2-benzamido-3-methylpentanoyl]amino]acetate
CID 7613309
N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide
CID 9033179
N-[(2S,3S)-3-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 9138580
N-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119548107
N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(5-phenylpentyl)benzamide
CID 58342840
N-[(2R,3S)-3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide
CID 7361927

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-[[(3S)-1-hydroxy-2-oxo-5-phenylpentan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(2S,3S)-1-[[(3S)-1-hydroxy-2-oxo-5-phenylpentan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide (CID 23551275) is N-[(2S,3S)-1-[[(3S)-1-hydroxy-2-oxo-5-phenylpentan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S,3S)-1-[[(3S)-1-hydroxy-2-oxo-5-phenylpentan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2S,3S)-1-[[(3S)-1-hydroxy-2-oxo-5-phenylpentan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide is CC[C@H](C)[C@H](NC(=O)c1ccncc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO.
What is the InChIKey of N-[(2S,3S)-1-[[(3S)-1-hydroxy-2-oxo-5-phenylpentan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide?
The InChIKey is YLDUJSWYQRGCSH-LRQRDZAKSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-3-16(2)21(26-22(29)18-11-13-24-14-12-18)23(30)25-19(20(28)15-27)10-9-17-7-5-4-6-8-17/h4-8,11-14,16,19,21,27H,3,9-10,15H2,1-2H3,(H,25,30)(H,26,29)/t16-,19-,21-/m0/s1.
What are the key properties of N-[(2S,3S)-1-[[(3S)-1-hydroxy-2-oxo-5-phenylpentan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide?
N-[(2S,3S)-1-[[(3S)-1-hydroxy-2-oxo-5-phenylpentan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 1.91, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-[[(3S)-1-hydroxy-2-oxo-5-phenylpentan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 23551275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).