N-(3-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide

C18H15ClN4O — CID 109191093

IUPACN-(3-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(NCc2ccccn2)cn1
InChIInChI=1S/C18H15ClN4O/c19-13-4-3-6-14(10-13)23-18(24)17-8-7-16(12-22-17)21-11-15-5-1-2-9-20-15/h1-10,12,21H,11H2,(H,23,24)
InChIKeyKJNRUPOPDOVSQS-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.99
Rot. Bonds5

About N-(3-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide

N-(3-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109191093) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
PubChem CID109191093
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC NameN-(3-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(NCc2ccccn2)cn1
InChIInChI=1S/C18H15ClN4O/c19-13-4-3-6-14(10-13)23-18(24)17-8-7-16(12-22-17)21-11-15-5-1-2-9-20-15/h1-10,12,21H,11H2,(H,23,24)
InChIKeyKJNRUPOPDOVSQS-UHFFFAOYSA-N
XLogP3.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191121
N-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191075
N-(2,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191145
5-(pyridin-2-ylmethylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109191143
N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109187835
N-(4-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283138
N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109307006
N-(3,5-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120782
N-(4-piperidin-1-ylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191130
N-cyclohexyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109182931
N-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306963
N-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191023

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide (CID 109191093) is N-(3-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide is O=C(Nc1cccc(Cl)c1)c1ccc(NCc2ccccn2)cn1.
What is the InChIKey of N-(3-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is KJNRUPOPDOVSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-13-4-3-6-14(10-13)23-18(24)17-8-7-16(12-22-17)21-11-15-5-1-2-9-20-15/h1-10,12,21H,11H2,(H,23,24).
What are the key properties of N-(3-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
N-(3-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 338.80 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109191093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).