5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide

C19H16ClN3O — CID 109231871

IUPAC5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cncc(NCc2ccccc2)c1
InChIInChI=1S/C19H16ClN3O/c20-17-8-4-5-9-18(17)23-19(24)15-10-16(13-21-12-15)22-11-14-6-2-1-3-7-14/h1-10,12-13,22H,11H2,(H,23,24)
InChIKeyMRZMEDVYIIYCFC-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.60
Rot. Bonds5

About 5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide

5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide (PubChem CID 109231871) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide
PubChem CID109231871
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cncc(NCc2ccccc2)c1
InChIInChI=1S/C19H16ClN3O/c20-17-8-4-5-9-18(17)23-19(24)15-10-16(13-21-12-15)22-11-14-6-2-1-3-7-14/h1-10,12-13,22H,11H2,(H,23,24)
InChIKeyMRZMEDVYIIYCFC-UHFFFAOYSA-N
XLogP4.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(benzylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 109231930
5-(1,3-benzodioxol-5-ylmethylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 109234686
5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 109231933
2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide
CID 109255455
5-(benzylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109231887
5-[(4-chlorophenyl)methylamino]-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109234109
5-N-(2-chlorophenyl)-3-N-phenylpyridine-3,5-dicarboxamide
CID 109107777
5-(benzylamino)-N-(4-bromophenyl)pyridine-3-carboxamide
CID 109231882
5-[(4-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109234113
N-(2,4-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232734
5-[(2-chlorophenyl)methylamino]-N-(2-cyanophenyl)pyridine-3-carboxamide
CID 109233966
5-[(4-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232664

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide (CID 109231871) is 5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide is O=C(Nc1ccccc1Cl)c1cncc(NCc2ccccc2)c1.
What is the InChIKey of 5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide?
The InChIKey is MRZMEDVYIIYCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c20-17-8-4-5-9-18(17)23-19(24)15-10-16(13-21-12-15)22-11-14-6-2-1-3-7-14/h1-10,12-13,22H,11H2,(H,23,24).
What are the key properties of 5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide?
5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide has a molecular weight of 337.81 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109231871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).