4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]benzamide

C19H21ClN4O3 — CID 35148834

IUPAC4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1cccnc1
InChIInChI=1S/C19H21ClN4O3/c1-3-12(2)16(22-17(25)13-6-8-15(20)9-7-13)19(27)24-23-18(26)14-5-4-10-21-11-14/h4-12,16H,3H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)/t12-,16-/m0/s1
InChIKeyNNQCJUYCFXEVML-LRDDRELGSA-N
MW388.86 g/mol
LogP2.34
Rot. Bonds6

About 4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]benzamide

4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]benzamide (PubChem CID 35148834) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is 4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]benzamide
PubChem CID35148834
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1cccnc1
InChIInChI=1S/C19H21ClN4O3/c1-3-12(2)16(22-17(25)13-6-8-15(20)9-7-13)19(27)24-23-18(26)14-5-4-10-21-11-14/h4-12,16H,3H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)/t12-,16-/m0/s1
InChIKeyNNQCJUYCFXEVML-LRDDRELGSA-N
XLogP2.34
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.34
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-[(2S,3S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613124
4-chloro-N-[(2S,3S)-3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxopentan-2-yl]benzamide
CID 24539912
N-[1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 78512632
N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide
CID 9033179
N-[1-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 24636072
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 2363261
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 2363260
2-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]acetic acid
CID 119171288
2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide
CID 3455596
N'-(2-methylpentanoyl)pyridine-3-carbohydrazide
CID 78780746
4-chloro-N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 119504568
N-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 10685889

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]benzamide (CID 35148834) is 4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]benzamide is CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1cccnc1.
What is the InChIKey of 4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]benzamide?
The InChIKey is NNQCJUYCFXEVML-LRDDRELGSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-3-12(2)16(22-17(25)13-6-8-15(20)9-7-13)19(27)24-23-18(26)14-5-4-10-21-11-14/h4-12,16H,3H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)/t12-,16-/m0/s1.
What are the key properties of 4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]benzamide?
4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]benzamide has a molecular weight of 388.86 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]benzamide is sourced from PubChem (CID 35148834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).