6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

C19H17ClN4O — CID 109156907

IUPAC6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C19H17ClN4O/c20-17-4-1-14(2-5-17)11-22-18-6-3-16(13-23-18)19(25)24-12-15-7-9-21-10-8-15/h1-10,13H,11-12H2,(H,22,23)(H,24,25)
InChIKeyOFNRPUVRTMMMMX-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.67
Rot. Bonds6

About 6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 109156907) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID109156907
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C19H17ClN4O/c20-17-4-1-14(2-5-17)11-22-18-6-3-16(13-23-18)19(25)24-12-15-7-9-21-10-8-15/h1-10,13H,11-12H2,(H,22,23)(H,24,25)
InChIKeyOFNRPUVRTMMMMX-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

4-chloro-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzamide
CID 113012926
6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid
CID 28740301
6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 112722784
6-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157940
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257576
N-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109158018
6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156901
N-(3-chlorophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156937
N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156954
N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841638
methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate
CID 146669717
6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158114

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (CID 109156907) is 6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccncc1)c1ccc(NCc2ccc(Cl)cc2)nc1.
What is the InChIKey of 6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is OFNRPUVRTMMMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-17-4-1-14(2-5-17)11-22-18-6-3-16(13-23-18)19(25)24-12-15-7-9-21-10-8-15/h1-10,13H,11-12H2,(H,22,23)(H,24,25).
What are the key properties of 6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-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 6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109156907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).