N-(2,5-dichloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide

C14H13Cl2N3O — CID 104728161

IUPACN-(2,5-dichloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)Nc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C14H13Cl2N3O/c1-8-5-11(16)13(6-10(8)15)19-14(20)9-7-18-4-3-12(9)17-2/h3-7H,1-2H3,(H,17,18)(H,19,20)
InChIKeyGBLHSQONWRFNCV-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.99
Rot. Bonds3

About N-(2,5-dichloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide

N-(2,5-dichloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide (PubChem CID 104728161) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is N-(2,5-dichloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
PubChem CID104728161
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC NameN-(2,5-dichloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)Nc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C14H13Cl2N3O/c1-8-5-11(16)13(6-10(8)15)19-14(20)9-7-18-4-3-12(9)17-2/h3-7H,1-2H3,(H,17,18)(H,19,20)
InChIKeyGBLHSQONWRFNCV-UHFFFAOYSA-N
XLogP3.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81233976
N-(3-chloro-2-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81234663
N-(3-fluoro-4-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 107595502
N-(2,5-dichloro-4-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 104728160
N-(5-chloro-2-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81234108
2-chloro-N-(2,5-dichloro-4-methylphenyl)-5-hydroxybenzamide
CID 106502134
4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270694
N-(2,5-dichloro-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 104727965
N-(2,5-dichloro-4-methylphenyl)-4-hydroxy-2-methylbenzamide
CID 107671657
5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide
CID 104725719
N-(2,5-dichloro-4-methylphenyl)-2-iodobenzamide
CID 115760988
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(methylamino)pyridine-3-carboxamide
CID 81245976

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2,5-dichloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide (CID 104728161) is N-(2,5-dichloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-dichloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,5-dichloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide is CNc1ccncc1C(=O)Nc1cc(Cl)c(C)cc1Cl.
What is the InChIKey of N-(2,5-dichloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is GBLHSQONWRFNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-8-5-11(16)13(6-10(8)15)19-14(20)9-7-18-4-3-12(9)17-2/h3-7H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of N-(2,5-dichloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide?
N-(2,5-dichloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 310.18 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 104728161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).