5-chloro-N-(3-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;5-chloro-6-piperidin-1-ylpyridine-3-carboxylic acid

C28H31Cl2N5O4 — CID 68745024

IUPAC5-chloro-N-(3-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;5-chloro-6-piperidin-1-ylpyridine-3-carboxylic acid
SMILESCOc1cccc(NC(=O)c2cnc(N3CCCC3)c(Cl)c2)c1.O=C(O)c1cnc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C17H18ClN3O2.C11H13ClN2O2/c1-23-14-6-4-5-13(10-14)20-17(22)12-9-15(18)16(19-11-12)21-7-2-3-8-21;12-9-6-8(11(15)16)7-13-10(9)14-4-2-1-3-5-14/h4-6,9-11H,2-3,7-8H2,1H3,(H,20,22);6-7H,1-5H2,(H,15,16)
InChIKeyKGRDJFYVBZPPRQ-UHFFFAOYSA-N
MW572.49 g/mol
LogP6.02
Rot. Bonds6

About 5-chloro-N-(3-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;5-chloro-6-piperidin-1-ylpyridine-3-carboxylic acid

5-chloro-N-(3-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;5-chloro-6-piperidin-1-ylpyridine-3-carboxylic acid (PubChem CID 68745024) has the molecular formula C28H31Cl2N5O4 and a molecular weight of 572.49 g/mol. Its IUPAC name is 5-chloro-N-(3-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;5-chloro-6-piperidin-1-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-N-(3-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;5-chloro-6-piperidin-1-ylpyridine-3-carboxylic acid
PubChem CID68745024
Molecular FormulaC28H31Cl2N5O4
Molecular Weight572.49 g/mol
Exact Mass571.18
IUPAC Name5-chloro-N-(3-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;5-chloro-6-piperidin-1-ylpyridine-3-carboxylic acid
SMILESCOc1cccc(NC(=O)c2cnc(N3CCCC3)c(Cl)c2)c1.O=C(O)c1cnc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C17H18ClN3O2.C11H13ClN2O2/c1-23-14-6-4-5-13(10-14)20-17(22)12-9-15(18)16(19-11-12)21-7-2-3-8-21;12-9-6-8(11(15)16)7-13-10(9)14-4-2-1-3-5-14/h4-6,9-11H,2-3,7-8H2,1H3,(H,20,22);6-7H,1-5H2,(H,15,16)
InChIKeyKGRDJFYVBZPPRQ-UHFFFAOYSA-N
XLogP6.02
TPSA107.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.49
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-(3-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;5-chloro-6-piperidin-1-ylpyridine-3-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;5-chloro-6-piperidin-1-ylpyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-N-(3-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;5-chloro-6-piperidin-1-ylpyridine-3-carboxylic acid (CID 68745024) is 5-chloro-N-(3-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;5-chloro-6-piperidin-1-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-N-(3-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;5-chloro-6-piperidin-1-ylpyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-N-(3-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;5-chloro-6-piperidin-1-ylpyridine-3-carboxylic acid is COc1cccc(NC(=O)c2cnc(N3CCCC3)c(Cl)c2)c1.O=C(O)c1cnc(N2CCCCC2)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(3-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;5-chloro-6-piperidin-1-ylpyridine-3-carboxylic acid?
The InChIKey is KGRDJFYVBZPPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2.C11H13ClN2O2/c1-23-14-6-4-5-13(10-14)20-17(22)12-9-15(18)16(19-11-12)21-7-2-3-8-21;12-9-6-8(11(15)16)7-13-10(9)14-4-2-1-3-5-14/h4-6,9-11H,2-3,7-8H2,1H3,(H,20,22);6-7H,1-5H2,(H,15,16).
What are the key properties of 5-chloro-N-(3-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;5-chloro-6-piperidin-1-ylpyridine-3-carboxylic acid?
5-chloro-N-(3-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;5-chloro-6-piperidin-1-ylpyridine-3-carboxylic acid has a molecular weight of 572.49 g/mol, XLogP of 6.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;5-chloro-6-piperidin-1-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 68745024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).