N-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide

C17H16ClN3O2 — CID 109080420

IUPACN-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc(C(=O)N2CCCC2)ccn1
InChIInChI=1S/C17H16ClN3O2/c18-13-5-1-2-6-14(13)20-16(22)15-11-12(7-8-19-15)17(23)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10H2,(H,20,22)
InChIKeyHMPLWKOEVMMSEG-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.22
Rot. Bonds3

About N-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide

N-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109080420) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109080420
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC NameN-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc(C(=O)N2CCCC2)ccn1
InChIInChI=1S/C17H16ClN3O2/c18-13-5-1-2-6-14(13)20-16(22)15-11-12(7-8-19-15)17(23)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10H2,(H,20,22)
InChIKeyHMPLWKOEVMMSEG-UHFFFAOYSA-N
XLogP3.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084701
N-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080395
4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 109090713
N-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081176
N-phenyl-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081096
methyl 4-chloro-3-[[4-(pyrrolidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109080454
N-[(2-chlorophenyl)methyl]-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081046
2-(azepane-1-carbonyl)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide
CID 109090794
4-(4-acetylpiperazine-1-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109084885
N-(3-chloro-2-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084484
N-(2-fluorophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081286
N-(2-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081328

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (CID 109080420) is N-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is O=C(Nc1ccccc1Cl)c1cc(C(=O)N2CCCC2)ccn1.
What is the InChIKey of N-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is HMPLWKOEVMMSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c18-13-5-1-2-6-14(13)20-16(22)15-11-12(7-8-19-15)17(23)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10H2,(H,20,22).
What are the key properties of N-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
N-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109080420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).