5-chloro-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-4-carboxamide

C15H13ClN4O — CID 107801317

IUPAC5-chloro-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2cccc(C)c2C#N)c(Cl)cn1
InChIInChI=1S/C15H13ClN4O/c1-9-4-3-5-13(11(9)7-17)20-15(21)10-6-14(18-2)19-8-12(10)16/h3-6,8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyDILPFWBKIQYVHJ-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.21
Rot. Bonds3

About 5-chloro-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-4-carboxamide

5-chloro-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-4-carboxamide (PubChem CID 107801317) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 5-chloro-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
PubChem CID107801317
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name5-chloro-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2cccc(C)c2C#N)c(Cl)cn1
InChIInChI=1S/C15H13ClN4O/c1-9-4-3-5-13(11(9)7-17)20-15(21)10-6-14(18-2)19-8-12(10)16/h3-6,8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyDILPFWBKIQYVHJ-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

5-chloro-2-(methylamino)-N-(2-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 114923981
4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide
CID 114003049
5-chloro-N-(2-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921898
N-(2-bromophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114921871
5-bromo-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 107801323
N-(2-cyano-3-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107801459
5-chloro-N-(2-cyano-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107801438
N-(4-bromo-2-chlorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922117
5-chloro-N-(3-cyano-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114923271
6-[(2-cyano-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107800327
5-chloro-N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114922872
5-chloro-N-(2-chloro-6-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924765

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-4-carboxamide (CID 107801317) is 5-chloro-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)Nc2cccc(C)c2C#N)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is DILPFWBKIQYVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-9-4-3-5-13(11(9)7-17)20-15(21)10-6-14(18-2)19-8-12(10)16/h3-6,8H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-chloro-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-4-carboxamide?
5-chloro-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-4-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 5-chloro-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 107801317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).