4-chloro-N-[4-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)pentan-2-yl]benzamide

C20H24ClN3O2 — CID 55554912

IUPAC4-chloro-N-[4-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)pentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1cccnc1
InChIInChI=1S/C20H24ClN3O2/c1-14(2)12-18(24-19(25)16-5-7-17(21)8-6-16)20(26)23-11-9-15-4-3-10-22-13-15/h3-8,10,13-14,18H,9,11-12H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyIUHKJPCPTWRVBT-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.24
Rot. Bonds8

About 4-chloro-N-[4-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)pentan-2-yl]benzamide

4-chloro-N-[4-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)pentan-2-yl]benzamide (PubChem CID 55554912) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 4-chloro-N-[4-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)pentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)pentan-2-yl]benzamide
PubChem CID55554912
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name4-chloro-N-[4-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)pentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1cccnc1
InChIInChI=1S/C20H24ClN3O2/c1-14(2)12-18(24-19(25)16-5-7-17(21)8-6-16)20(26)23-11-9-15-4-3-10-22-13-15/h3-8,10,13-14,18H,9,11-12H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyIUHKJPCPTWRVBT-UHFFFAOYSA-N
XLogP3.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
CID 55334565
ethyl (2S)-4-methyl-2-[[4-(2-pyridin-3-ylethyl)benzoyl]amino]pentanoate
CID 22866408
2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide
CID 60913916
4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
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4-chloro-N-[(2R)-4-methyl-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentan-2-yl]benzamide
CID 9300609
4-chloro-N-[4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl]benzamide
CID 51064823
4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide
CID 55575717
N-[1-[2-(4-chlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17459300
4-chloro-N-[(2S)-1-[(2-fluorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 8871221
4-chloro-N-[4-methyl-1-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethylamino]-1-oxopentan-2-yl]benzamide
CID 56578528
N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 40701331
benzyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7351613

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)pentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[4-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)pentan-2-yl]benzamide (CID 55554912) is 4-chloro-N-[4-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)pentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)pentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[4-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)pentan-2-yl]benzamide is CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1cccnc1.
What is the InChIKey of 4-chloro-N-[4-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)pentan-2-yl]benzamide?
The InChIKey is IUHKJPCPTWRVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-14(2)12-18(24-19(25)16-5-7-17(21)8-6-16)20(26)23-11-9-15-4-3-10-22-13-15/h3-8,10,13-14,18H,9,11-12H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 4-chloro-N-[4-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)pentan-2-yl]benzamide?
4-chloro-N-[4-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)pentan-2-yl]benzamide has a molecular weight of 373.88 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)pentan-2-yl]benzamide is sourced from PubChem (CID 55554912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).