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

C19H17ClN4O — CID 109190073

IUPAC5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C19H17ClN4O/c20-16-5-3-14(4-6-16)11-22-17-7-8-18(23-13-17)19(25)24-12-15-2-1-9-21-10-15/h1-10,13,22H,11-12H2,(H,24,25)
InChIKeyDYTKFIVTDQWFKJ-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.67
Rot. Bonds6

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

5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 109190073) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID109190073
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C19H17ClN4O/c20-16-5-3-14(4-6-16)11-22-17-7-8-18(23-13-17)19(25)24-12-15-2-1-9-21-10-15/h1-10,13,22H,11-12H2,(H,24,25)
InChIKeyDYTKFIVTDQWFKJ-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

5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 104639627
N-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191023
5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191185
N-(2,4-dichlorophenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191437
N-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109183851
5-(3,4-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191293
6-(4-chloroanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121155
N-pentyl-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191345
5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190257
5-[(4-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187489
N-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethylamino)benzamide
CID 51086157
5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191220

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 109190073) is 5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is O=C(NCc1cccnc1)c1ccc(NCc2ccc(Cl)cc2)cn1.
What is the InChIKey of 5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is DYTKFIVTDQWFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-16-5-3-14(4-6-16)11-22-17-7-8-18(23-13-17)19(25)24-12-15-2-1-9-21-10-15/h1-10,13,22H,11-12H2,(H,24,25).
What are the key properties of 5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-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-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109190073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).