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

C14H11ClN4O — CID 114922463

IUPAC2-amino-5-chloro-N-(5-cyano-2-methylphenyl)pyridine-4-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C14H11ClN4O/c1-8-2-3-9(6-16)4-12(8)19-14(20)10-5-13(17)18-7-11(10)15/h2-5,7H,1H3,(H2,17,18)(H,19,20)
InChIKeyURLAXTLHPHXYRT-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.75
Rot. Bonds2

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

2-amino-5-chloro-N-(5-cyano-2-methylphenyl)pyridine-4-carboxamide (PubChem CID 114922463) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(5-cyano-2-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(5-cyano-2-methylphenyl)pyridine-4-carboxamide
PubChem CID114922463
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name2-amino-5-chloro-N-(5-cyano-2-methylphenyl)pyridine-4-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C14H11ClN4O/c1-8-2-3-9(6-16)4-12(8)19-14(20)10-5-13(17)18-7-11(10)15/h2-5,7H,1H3,(H2,17,18)(H,19,20)
InChIKeyURLAXTLHPHXYRT-UHFFFAOYSA-N
XLogP2.75
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-chloro-N-(2-chloro-5-cyanophenyl)pyridine-4-carboxamide
CID 114924132
4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81226761
5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475858
6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 47475855
4-amino-N-(2-chloro-5-cyanophenyl)-6-methylpyridine-3-carboxamide
CID 81245335
2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide
CID 62105070
2-amino-5-chloro-N-(2-methyl-4-nitrophenyl)pyridine-4-carboxamide
CID 114922911
6-chloro-N-(5-cyano-2-methylphenyl)pyrazine-2-carboxamide
CID 106551252
3-amino-N-(5-cyano-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 64525453
2-amino-5-chloro-N-(2-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 114923980
4-chloro-N-(5-cyano-2-methylphenyl)-2-methoxybenzamide
CID 62059730
N-(5-cyano-2-methylphenyl)-3-methoxypyridine-4-carboxamide
CID 105063446

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(5-cyano-2-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-(5-cyano-2-methylphenyl)pyridine-4-carboxamide (CID 114922463) is 2-amino-5-chloro-N-(5-cyano-2-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-(5-cyano-2-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-(5-cyano-2-methylphenyl)pyridine-4-carboxamide is Cc1ccc(C#N)cc1NC(=O)c1cc(N)ncc1Cl.
What is the InChIKey of 2-amino-5-chloro-N-(5-cyano-2-methylphenyl)pyridine-4-carboxamide?
The InChIKey is URLAXTLHPHXYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c1-8-2-3-9(6-16)4-12(8)19-14(20)10-5-13(17)18-7-11(10)15/h2-5,7H,1H3,(H2,17,18)(H,19,20).
What are the key properties of 2-amino-5-chloro-N-(5-cyano-2-methylphenyl)pyridine-4-carboxamide?
2-amino-5-chloro-N-(5-cyano-2-methylphenyl)pyridine-4-carboxamide has a molecular weight of 286.72 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(5-cyano-2-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 114922463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).