5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide

C16H17Cl2N3O — CID 109181756

IUPAC5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C16H17Cl2N3O/c1-3-10(2)20-12-5-7-15(19-9-12)16(22)21-11-4-6-13(17)14(18)8-11/h4-10,20H,3H2,1-2H3,(H,21,22)
InChIKeyCOFKIXXKPAUWFX-UHFFFAOYSA-N
MW338.24 g/mol
LogP4.85
Rot. Bonds5

About 5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide

5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide (PubChem CID 109181756) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is 5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide
PubChem CID109181756
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC Name5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C16H17Cl2N3O/c1-3-10(2)20-12-5-7-15(19-9-12)16(22)21-11-4-6-13(17)14(18)8-11/h4-10,20H,3H2,1-2H3,(H,21,22)
InChIKeyCOFKIXXKPAUWFX-UHFFFAOYSA-N
XLogP4.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyridine-2-carboxamide
CID 109181759
N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195700
N-(3,4-dichlorophenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181373
5-(butan-2-ylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109181691
N-(3,4-dichlorophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639765
methyl 3-[[5-(butan-2-ylamino)pyridine-2-carbonyl]amino]benzoate
CID 109181726
5-(butan-2-ylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 109181762
5-(butan-2-ylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109181676
N-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181317
4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109080107
5-(butan-2-ylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179836
N-(3-bromo-4-chlorophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104641780

Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide (CID 109181756) is 5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide is CCC(C)Nc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of 5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide?
The InChIKey is COFKIXXKPAUWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O/c1-3-10(2)20-12-5-7-15(19-9-12)16(22)21-11-4-6-13(17)14(18)8-11/h4-10,20H,3H2,1-2H3,(H,21,22).
What are the key properties of 5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide?
5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide has a molecular weight of 338.24 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109181756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).