N-(3-chloro-4-cyanophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide

C15H13ClN4O — CID 81237328

IUPACN-(3-chloro-4-cyanophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1cc(C)ncc1C(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C15H13ClN4O/c1-9-5-14(18-2)12(8-19-9)15(21)20-11-4-3-10(7-17)13(16)6-11/h3-6,8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyNXRIMHPGWOGGIQ-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.21
Rot. Bonds3

About N-(3-chloro-4-cyanophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide

N-(3-chloro-4-cyanophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide (PubChem CID 81237328) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
PubChem CID81237328
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC NameN-(3-chloro-4-cyanophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1cc(C)ncc1C(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C15H13ClN4O/c1-9-5-14(18-2)12(8-19-9)15(21)20-11-4-3-10(7-17)13(16)6-11/h3-6,8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyNXRIMHPGWOGGIQ-UHFFFAOYSA-N
XLogP3.21
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81235774
N-(3,4-dimethylphenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236774
N-(3-chloro-4-cyanophenyl)-4-hydrazinylpyridine-3-carboxamide
CID 81255856
N-(2-chlorophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236485
4-chloro-N-(5-chloro-2-cyanophenyl)-6-methylpyridine-3-carboxamide
CID 81226633
N-(3-chloro-4-cyanophenyl)-2,5-dimethylfuran-3-carboxamide
CID 78780293
N-(5-chloro-2-methylphenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81233865
N-(3-methoxyphenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81235873
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 103756371
N-(4-cyanophenyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide
CID 81239209
N-(3-chloro-4-cyanophenyl)-6-methoxypyridine-3-carboxamide
CID 134015998
N-(3-chloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81233976

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide (CID 81237328) is N-(3-chloro-4-cyanophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide is CNc1cc(C)ncc1C(=O)Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is NXRIMHPGWOGGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-9-5-14(18-2)12(8-19-9)15(21)20-11-4-3-10(7-17)13(16)6-11/h3-6,8H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-(3-chloro-4-cyanophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide?
N-(3-chloro-4-cyanophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81237328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).