N-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide

C16H15Cl2N3O — CID 109203970

IUPACN-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cc(N2CCCC2)ccn1
InChIInChI=1S/C16H15Cl2N3O/c17-11-3-4-14(13(18)9-11)20-16(22)15-10-12(5-6-19-15)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8H2,(H,20,22)
InChIKeyJLHREXAXRBJIPD-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.24
Rot. Bonds3

About N-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide

N-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 109203970) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID109203970
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC NameN-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cc(N2CCCC2)ccn1
InChIInChI=1S/C16H15Cl2N3O/c17-11-3-4-14(13(18)9-11)20-16(22)15-10-12(5-6-19-15)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8H2,(H,20,22)
InChIKeyJLHREXAXRBJIPD-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

4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109218660
N-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203910
4-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109218661
4-(4-acetylpiperazin-1-yl)-N-(2,5-dichlorophenyl)pyridine-2-carboxamide
CID 109209263
N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203985
N-(2,5-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208689
N-(2,4-dichlorophenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082935
N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203936
N-(2,4-dichlorophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201663
4-(azepan-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109218647
N-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112773692
4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109218708

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide (CID 109203970) is N-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1cc(N2CCCC2)ccn1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is JLHREXAXRBJIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O/c17-11-3-4-14(13(18)9-11)20-16(22)15-10-12(5-6-19-15)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8H2,(H,20,22).
What are the key properties of N-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
N-(2,4-dichlorophenyl)-4-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-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 109203970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).