5-[[3-chloro-4-(piperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid

C19H18ClN3O4 — CID 119125108

IUPAC5-[[3-chloro-4-(piperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C19H18ClN3O4/c20-15-10-13(5-6-14(15)18(25)23-8-2-1-3-9-23)22-17(24)12-4-7-16(19(26)27)21-11-12/h4-7,10-11H,1-3,8-9H2,(H,22,24)(H,26,27)
InChIKeyDPRBRLFUGYMLAG-UHFFFAOYSA-N
MW387.82 g/mol
LogP3.31
Rot. Bonds4

About 5-[[3-chloro-4-(piperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid

5-[[3-chloro-4-(piperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119125108) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is 5-[[3-chloro-4-(piperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-chloro-4-(piperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID119125108
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Name5-[[3-chloro-4-(piperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C19H18ClN3O4/c20-15-10-13(5-6-14(15)18(25)23-8-2-1-3-9-23)22-17(24)12-4-7-16(19(26)27)21-11-12/h4-7,10-11H,1-3,8-9H2,(H,22,24)(H,26,27)
InChIKeyDPRBRLFUGYMLAG-UHFFFAOYSA-N
XLogP3.31
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[3-chloro-4-(piperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic 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-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044373
2-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-2,5-dicarboxamide
CID 86864818
1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 119776900
5-N-(3,4-dichlorophenyl)pyridine-2,5-dicarboxamide
CID 47460215
N-(3,4-dichlorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250257
5-[(2,6-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 60725320
3-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)benzamide
CID 109056704
1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119776899
6-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 109099901
3-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-methylbutanamide
CID 120500534
3,4-dichloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 5204790
[5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181948

Frequently Asked Questions

What is the IUPAC name of 5-[[3-chloro-4-(piperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[3-chloro-4-(piperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid (CID 119125108) is 5-[[3-chloro-4-(piperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[3-chloro-4-(piperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[3-chloro-4-(piperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid is O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[3-chloro-4-(piperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is DPRBRLFUGYMLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c20-15-10-13(5-6-14(15)18(25)23-8-2-1-3-9-23)22-17(24)12-4-7-16(19(26)27)21-11-12/h4-7,10-11H,1-3,8-9H2,(H,22,24)(H,26,27).
What are the key properties of 5-[[3-chloro-4-(piperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
5-[[3-chloro-4-(piperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 387.82 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-chloro-4-(piperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119125108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).