N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide

C14H11ClN4O — CID 107465551

IUPACN-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(C#N)cn1)c1cc(Cl)ccc1N
InChIInChI=1S/C14H11ClN4O/c1-19(13-6-10(15)3-4-11(13)17)14(20)12-5-2-9(7-16)8-18-12/h2-6,8H,17H2,1H3
InChIKeyBTIXPIWDZFEXLX-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.47
Rot. Bonds2

About N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide

N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide (PubChem CID 107465551) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide
PubChem CID107465551
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC NameN-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(C#N)cn1)c1cc(Cl)ccc1N
InChIInChI=1S/C14H11ClN4O/c1-19(13-6-10(15)3-4-11(13)17)14(20)12-5-2-9(7-16)8-18-12/h2-6,8H,17H2,1H3
InChIKeyBTIXPIWDZFEXLX-UHFFFAOYSA-N
XLogP2.47
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide (CID 107465551) is N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide is CN(C(=O)c1ccc(C#N)cn1)c1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide?
The InChIKey is BTIXPIWDZFEXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c1-19(13-6-10(15)3-4-11(13)17)14(20)12-5-2-9(7-16)8-18-12/h2-6,8H,17H2,1H3.
What are the key properties of N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide?
N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide has a molecular weight of 286.72 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 107465551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).