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

C16H17Cl2N3O — CID 109181373

IUPACN-(3,4-dichlorophenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
SMILESCC(C)CNc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C16H17Cl2N3O/c1-10(2)8-19-12-4-6-15(20-9-12)16(22)21-11-3-5-13(17)14(18)7-11/h3-7,9-10,19H,8H2,1-2H3,(H,21,22)
InChIKeyVIYSMQZSEBUCAI-UHFFFAOYSA-N
MW338.24 g/mol
LogP4.71
Rot. Bonds5

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

N-(3,4-dichlorophenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide (PubChem CID 109181373) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
PubChem CID109181373
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC NameN-(3,4-dichlorophenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
SMILESCC(C)CNc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C16H17Cl2N3O/c1-10(2)8-19-12-4-6-15(20-9-12)16(22)21-11-3-5-13(17)14(18)7-11/h3-7,9-10,19H,8H2,1-2H3,(H,21,22)
InChIKeyVIYSMQZSEBUCAI-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181317
N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195700
N-(3,4-dimethylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181294
5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide
CID 109181756
N-(3,4-dichlorophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639765
N-(3-methoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181325
N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181316
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181346
methyl 4-chloro-3-[[5-(2-methylpropylamino)pyridine-2-carbonyl]amino]benzoate
CID 109181345
N-(3-chloro-4-fluorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273040
N-(3-bromo-4-chlorophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104641780
N-[4-chloro-3-(2-methylpropylamino)phenyl]acetamide
CID 154354930

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide (CID 109181373) is N-(3,4-dichlorophenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide is CC(C)CNc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide?
The InChIKey is VIYSMQZSEBUCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O/c1-10(2)8-19-12-4-6-15(20-9-12)16(22)21-11-3-5-13(17)14(18)7-11/h3-7,9-10,19H,8H2,1-2H3,(H,21,22).
What are the key properties of N-(3,4-dichlorophenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide?
N-(3,4-dichlorophenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide has a molecular weight of 338.24 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109181373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).