2-chloro-N-[(1S,2S)-2-[(5-methyl-2-pyridinyl)amino]cyclopentyl]benzamide

C18H20ClN3O — CID 118317099

IUPAC2-chloro-N-[(1S,2S)-2-[(5-methyl-2-pyridinyl)amino]cyclopentyl]benzamide
SMILESCc1ccc(N[C@H]2CCC[C@@H]2NC(=O)c2ccccc2Cl)nc1
InChIInChI=1S/C18H20ClN3O/c1-12-9-10-17(20-11-12)21-15-7-4-8-16(15)22-18(23)13-5-2-3-6-14(13)19/h2-3,5-6,9-11,15-16H,4,7-8H2,1H3,(H,20,21)(H,22,23)/t15-,16-/m0/s1
InChIKeyWNLJKMLBTDYOSG-HOTGVXAUSA-N
MW329.83 g/mol
LogP3.81
Rot. Bonds4

About 2-chloro-N-[(1S,2S)-2-[(5-methyl-2-pyridinyl)amino]cyclopentyl]benzamide

2-chloro-N-[(1S,2S)-2-[(5-methyl-2-pyridinyl)amino]cyclopentyl]benzamide (PubChem CID 118317099) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-chloro-N-[(1S,2S)-2-[(5-methyl-2-pyridinyl)amino]cyclopentyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1S,2S)-2-[(5-methyl-2-pyridinyl)amino]cyclopentyl]benzamide
PubChem CID118317099
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name2-chloro-N-[(1S,2S)-2-[(5-methyl-2-pyridinyl)amino]cyclopentyl]benzamide
SMILESCc1ccc(N[C@H]2CCC[C@@H]2NC(=O)c2ccccc2Cl)nc1
InChIInChI=1S/C18H20ClN3O/c1-12-9-10-17(20-11-12)21-15-7-4-8-16(15)22-18(23)13-5-2-3-6-14(13)19/h2-3,5-6,9-11,15-16H,4,7-8H2,1H3,(H,20,21)(H,22,23)/t15-,16-/m0/s1
InChIKeyWNLJKMLBTDYOSG-HOTGVXAUSA-N
XLogP3.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclopentyl)-2-chlorobenzamide
CID 63251263
5-methyl-N-(2-methylcyclopentyl)pyridin-2-amine
CID 63281216
cis-(1S,2R)-1-N-(5-methyl-2-pyridinyl)cyclopentane-1,2-diamine
CID 159909589
N-[(1S,2S)-2-[(5-methyl-2-pyridinyl)amino]cyclopentyl]-3-pyrazol-1-ylpyridine-2-carboxamide
CID 118317129
2-chloro-N-cyclopentylbenzamide
CID 669043
3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide
CID 154754631
N-[(1R,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide
CID 118317054
N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide
CID 106366339
2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
CID 979091
N-[(1R,2S)-2-[(2-chlorobenzoyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93014458
1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55932117
2-chloro-N-[(1S,2R)-2-(2-chlorophenyl)cyclopentyl]pyridine-3-carboxamide
CID 125491090

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S,2S)-2-[(5-methyl-2-pyridinyl)amino]cyclopentyl]benzamide?
The IUPAC name of 2-chloro-N-[(1S,2S)-2-[(5-methyl-2-pyridinyl)amino]cyclopentyl]benzamide (CID 118317099) is 2-chloro-N-[(1S,2S)-2-[(5-methyl-2-pyridinyl)amino]cyclopentyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1S,2S)-2-[(5-methyl-2-pyridinyl)amino]cyclopentyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1S,2S)-2-[(5-methyl-2-pyridinyl)amino]cyclopentyl]benzamide is Cc1ccc(N[C@H]2CCC[C@@H]2NC(=O)c2ccccc2Cl)nc1.
What is the InChIKey of 2-chloro-N-[(1S,2S)-2-[(5-methyl-2-pyridinyl)amino]cyclopentyl]benzamide?
The InChIKey is WNLJKMLBTDYOSG-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-12-9-10-17(20-11-12)21-15-7-4-8-16(15)22-18(23)13-5-2-3-6-14(13)19/h2-3,5-6,9-11,15-16H,4,7-8H2,1H3,(H,20,21)(H,22,23)/t15-,16-/m0/s1.
What are the key properties of 2-chloro-N-[(1S,2S)-2-[(5-methyl-2-pyridinyl)amino]cyclopentyl]benzamide?
2-chloro-N-[(1S,2S)-2-[(5-methyl-2-pyridinyl)amino]cyclopentyl]benzamide has a molecular weight of 329.83 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S,2S)-2-[(5-methyl-2-pyridinyl)amino]cyclopentyl]benzamide is sourced from PubChem (CID 118317099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).