2-methyl-N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide

C20H24N4O3 — CID 9332535

IUPAC2-methyl-N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide
SMILESCc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c1ccccn1
InChIInChI=1S/C20H24N4O3/c1-13(2)12-17(22-18(25)15-9-5-4-8-14(15)3)20(27)24-23-19(26)16-10-6-7-11-21-16/h4-11,13,17H,12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)/t17-/m0/s1
InChIKeyLZYINUJBPVCYMQ-KRWDZBQOSA-N
MW368.44 g/mol
LogP2.00
Rot. Bonds6

About 2-methyl-N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide

2-methyl-N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide (PubChem CID 9332535) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide
PubChem CID9332535
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-methyl-N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide
SMILESCc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c1ccccn1
InChIInChI=1S/C20H24N4O3/c1-13(2)12-17(22-18(25)15-9-5-4-8-14(15)3)20(27)24-23-19(26)16-10-6-7-11-21-16/h4-11,13,17H,12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)/t17-/m0/s1
InChIKeyLZYINUJBPVCYMQ-KRWDZBQOSA-N
XLogP2.00
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-[2-(2-fluorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 9402546
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CID 55468080
N-[(2R)-1-[2-(tert-butylcarbamothioyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 9425695
N-[1-[2-(3-chloro-1-benzothiophene-2-carbonyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 3909200
2-methyl-N-[4-methyl-1-(5-methylhexan-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 112789345
2-methyl-N-[(2R)-4-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]benzamide
CID 35028557
(3S)-3-[[(2S)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]butanoic acid
CID 97072625
2-methyl-N-[4-methyl-1-oxo-1-(1,2,4-triazol-4-ylamino)pentan-2-yl]benzamide
CID 75413015
N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 47101431
2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide
CID 41013790
2-methyl-N-[4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-oxopentan-2-yl]benzamide
CID 86825605
2-methyl-N-[4-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxopentan-2-yl]benzamide
CID 46798212

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide (CID 9332535) is 2-methyl-N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide is Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c1ccccn1.
What is the InChIKey of 2-methyl-N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide?
The InChIKey is LZYINUJBPVCYMQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13(2)12-17(22-18(25)15-9-5-4-8-14(15)3)20(27)24-23-19(26)16-10-6-7-11-21-16/h4-11,13,17H,12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)/t17-/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide?
2-methyl-N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide has a molecular weight of 368.44 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide is sourced from PubChem (CID 9332535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).