6-(benzylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide

C19H15Cl2N3O — CID 109155556

IUPAC6-(benzylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccc(NCc2ccccc2)nc1
InChIInChI=1S/C19H15Cl2N3O/c20-15-7-8-16(21)17(10-15)24-19(25)14-6-9-18(23-12-14)22-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,22,23)(H,24,25)
InChIKeyVRONSJQTAQUHNQ-UHFFFAOYSA-N
MW372.26 g/mol
LogP5.25
Rot. Bonds5

About 6-(benzylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide

6-(benzylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide (PubChem CID 109155556) has the molecular formula C19H15Cl2N3O and a molecular weight of 372.26 g/mol. Its IUPAC name is 6-(benzylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide
PubChem CID109155556
Molecular FormulaC19H15Cl2N3O
Molecular Weight372.26 g/mol
Exact Mass371.06
IUPAC Name6-(benzylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccc(NCc2ccccc2)nc1
InChIInChI=1S/C19H15Cl2N3O/c20-15-7-8-16(21)17(10-15)24-19(25)14-6-9-18(23-12-14)22-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,22,23)(H,24,25)
InChIKeyVRONSJQTAQUHNQ-UHFFFAOYSA-N
XLogP5.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.26
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157918
N-(3-chlorophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156937
6-[(4-chlorophenyl)methylamino]-N-(2-cyanophenyl)pyridine-3-carboxamide
CID 109156965
N-(4-chloro-2-methylphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156635
N-(2,5-dichlorophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171976
N-(5-chloro-2-methoxyphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156639
6-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109155532
2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide
CID 109255455
N-(2-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160795
N-(2,5-dichlorophenyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153607
6-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide
CID 109152458
N-(2,5-dichlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280476

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(benzylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide (CID 109155556) is 6-(benzylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)c1ccc(NCc2ccccc2)nc1.
What is the InChIKey of 6-(benzylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide?
The InChIKey is VRONSJQTAQUHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O/c20-15-7-8-16(21)17(10-15)24-19(25)14-6-9-18(23-12-14)22-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,22,23)(H,24,25).
What are the key properties of 6-(benzylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide?
6-(benzylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide has a molecular weight of 372.26 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109155556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).