4-[[4-chloro-6-[(2S)-2-ethylpiperidin-1-yl]pyridine-2-carbonyl]amino]-2-methylbenzoic acid

C21H24ClN3O3 — CID 171085229

IUPAC4-[[4-chloro-6-[(2S)-2-ethylpiperidin-1-yl]pyridine-2-carbonyl]amino]-2-methylbenzoic acid
SMILESCC[C@H]1CCCCN1c1cc(Cl)cc(C(=O)Nc2ccc(C(=O)O)c(C)c2)n1
InChIInChI=1S/C21H24ClN3O3/c1-3-16-6-4-5-9-25(16)19-12-14(22)11-18(24-19)20(26)23-15-7-8-17(21(27)28)13(2)10-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,23,26)(H,27,28)/t16-/m0/s1
InChIKeyUJGZAHHFCMCDGY-INIZCTEOSA-N
MW401.89 g/mol
LogP4.76
Rot. Bonds5

About 4-[[4-chloro-6-[(2S)-2-ethylpiperidin-1-yl]pyridine-2-carbonyl]amino]-2-methylbenzoic acid

4-[[4-chloro-6-[(2S)-2-ethylpiperidin-1-yl]pyridine-2-carbonyl]amino]-2-methylbenzoic acid (PubChem CID 171085229) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 4-[[4-chloro-6-[(2S)-2-ethylpiperidin-1-yl]pyridine-2-carbonyl]amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[[4-chloro-6-[(2S)-2-ethylpiperidin-1-yl]pyridine-2-carbonyl]amino]-2-methylbenzoic acid
PubChem CID171085229
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name4-[[4-chloro-6-[(2S)-2-ethylpiperidin-1-yl]pyridine-2-carbonyl]amino]-2-methylbenzoic acid
SMILESCC[C@H]1CCCCN1c1cc(Cl)cc(C(=O)Nc2ccc(C(=O)O)c(C)c2)n1
InChIInChI=1S/C21H24ClN3O3/c1-3-16-6-4-5-9-25(16)19-12-14(22)11-18(24-19)20(26)23-15-7-8-17(21(27)28)13(2)10-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,23,26)(H,27,28)/t16-/m0/s1
InChIKeyUJGZAHHFCMCDGY-INIZCTEOSA-N
XLogP4.76
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[4-chloro-6-[(2S)-2-ethylpiperidin-1-yl]pyridine-2-carbonyl]amino]-2-methylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112847153
N-[4-(diethylamino)phenyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112847196
2-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109333798
N-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312492
N-(3-chloro-4-methylphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109099656
4-chloro-2-(2-ethylpiperidin-1-yl)benzoic acid
CID 63081491
N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide
CID 109196262
2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 43266682
N-(2,6-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109333831
1-[4-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112876501
6-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109125838
2-methyl-4-[[8-(2-methylpyrrolidin-1-yl)-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carbonyl]amino]benzoic acid
CID 171085286

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-6-[(2S)-2-ethylpiperidin-1-yl]pyridine-2-carbonyl]amino]-2-methylbenzoic acid?
The IUPAC name of 4-[[4-chloro-6-[(2S)-2-ethylpiperidin-1-yl]pyridine-2-carbonyl]amino]-2-methylbenzoic acid (CID 171085229) is 4-[[4-chloro-6-[(2S)-2-ethylpiperidin-1-yl]pyridine-2-carbonyl]amino]-2-methylbenzoic acid.
What is the SMILES notation for 4-[[4-chloro-6-[(2S)-2-ethylpiperidin-1-yl]pyridine-2-carbonyl]amino]-2-methylbenzoic acid?
The canonical SMILES for 4-[[4-chloro-6-[(2S)-2-ethylpiperidin-1-yl]pyridine-2-carbonyl]amino]-2-methylbenzoic acid is CC[C@H]1CCCCN1c1cc(Cl)cc(C(=O)Nc2ccc(C(=O)O)c(C)c2)n1.
What is the InChIKey of 4-[[4-chloro-6-[(2S)-2-ethylpiperidin-1-yl]pyridine-2-carbonyl]amino]-2-methylbenzoic acid?
The InChIKey is UJGZAHHFCMCDGY-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-3-16-6-4-5-9-25(16)19-12-14(22)11-18(24-19)20(26)23-15-7-8-17(21(27)28)13(2)10-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,23,26)(H,27,28)/t16-/m0/s1.
What are the key properties of 4-[[4-chloro-6-[(2S)-2-ethylpiperidin-1-yl]pyridine-2-carbonyl]amino]-2-methylbenzoic acid?
4-[[4-chloro-6-[(2S)-2-ethylpiperidin-1-yl]pyridine-2-carbonyl]amino]-2-methylbenzoic acid has a molecular weight of 401.89 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-6-[(2S)-2-ethylpiperidin-1-yl]pyridine-2-carbonyl]amino]-2-methylbenzoic acid is sourced from PubChem (CID 171085229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).