5-[(4-chlorophenyl)methylamino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

C19H17ClN4O — CID 109234070

IUPAC5-[(4-chlorophenyl)methylamino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cncc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H17ClN4O/c20-16-6-4-14(5-7-16)10-23-18-9-15(11-21-12-18)19(25)24-13-17-3-1-2-8-22-17/h1-9,11-12,23H,10,13H2,(H,24,25)
InChIKeyBJFPDRRESJDOLZ-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.67
Rot. Bonds6

About 5-[(4-chlorophenyl)methylamino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

5-[(4-chlorophenyl)methylamino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 109234070) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylamino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylamino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID109234070
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name5-[(4-chlorophenyl)methylamino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cncc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H17ClN4O/c20-16-6-4-14(5-7-16)10-23-18-9-15(11-21-12-18)19(25)24-13-17-3-1-2-8-22-17/h1-9,11-12,23H,10,13H2,(H,24,25)
InChIKeyBJFPDRRESJDOLZ-UHFFFAOYSA-N
XLogP3.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109232494
5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234957
5-(2-methoxyethylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109227845
N-(2,5-dichlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109235186
N-(3,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109235200
N-(pyridin-4-ylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235489
5-[(4-chlorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228025
5-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234998
5-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109235050
methyl 4-[[5-(pyridin-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109235016
5-[(4-chlorophenyl)methylamino]-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109234109
2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097921

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylamino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methylamino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 109234070) is 5-[(4-chlorophenyl)methylamino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methylamino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methylamino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccccn1)c1cncc(NCc2ccc(Cl)cc2)c1.
What is the InChIKey of 5-[(4-chlorophenyl)methylamino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is BJFPDRRESJDOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-16-6-4-14(5-7-16)10-23-18-9-15(11-21-12-18)19(25)24-13-17-3-1-2-8-22-17/h1-9,11-12,23H,10,13H2,(H,24,25).
What are the key properties of 5-[(4-chlorophenyl)methylamino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
5-[(4-chlorophenyl)methylamino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylamino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109234070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).