N-(2,3-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide

C16H15Cl2N3O — CID 109182144

IUPACN-(2,3-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccc(N2CCCC2)cn1
InChIInChI=1S/C16H15Cl2N3O/c17-12-4-3-5-13(15(12)18)20-16(22)14-7-6-11(10-19-14)21-8-1-2-9-21/h3-7,10H,1-2,8-9H2,(H,20,22)
InChIKeyITLMWPXWWGMMDH-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.24
Rot. Bonds3

About N-(2,3-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide

N-(2,3-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 109182144) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID109182144
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC NameN-(2,3-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccc(N2CCCC2)cn1
InChIInChI=1S/C16H15Cl2N3O/c17-12-4-3-5-13(15(12)18)20-16(22)14-7-6-11(10-19-14)21-8-1-2-9-21/h3-7,10H,1-2,8-9H2,(H,20,22)
InChIKeyITLMWPXWWGMMDH-UHFFFAOYSA-N
XLogP4.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dichlorophenyl)-5-morpholin-4-ylpyridine-2-carboxamide
CID 109184910
N-(2-bromophenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182869
N-(2-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199103
N-(2-chlorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183519
5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109196885
N-(2,6-diethylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182816
5-(azepan-1-yl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109196864
N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193453
5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide
CID 109196891
2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
CID 113024603
N-(4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182799
N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109182066

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide (CID 109182144) is N-(2,3-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide is O=C(Nc1cccc(Cl)c1Cl)c1ccc(N2CCCC2)cn1.
What is the InChIKey of N-(2,3-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is ITLMWPXWWGMMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O/c17-12-4-3-5-13(15(12)18)20-16(22)14-7-6-11(10-19-14)21-8-1-2-9-21/h3-7,10H,1-2,8-9H2,(H,20,22).
What are the key properties of N-(2,3-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide?
N-(2,3-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 336.22 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 109182144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).