2-amino-N-(2-chloro-4-cyanophenyl)pyridine-4-carboxamide

C13H9ClN4O — CID 107810212

IUPAC2-amino-N-(2-chloro-4-cyanophenyl)pyridine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccnc(N)c2)c(Cl)c1
InChIInChI=1S/C13H9ClN4O/c14-10-5-8(7-15)1-2-11(10)18-13(19)9-3-4-17-12(16)6-9/h1-6H,(H2,16,17)(H,18,19)
InChIKeyXYZPDKDCULDAAU-UHFFFAOYSA-N
MW272.70 g/mol
LogP2.44
Rot. Bonds2

About 2-amino-N-(2-chloro-4-cyanophenyl)pyridine-4-carboxamide

2-amino-N-(2-chloro-4-cyanophenyl)pyridine-4-carboxamide (PubChem CID 107810212) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-4-cyanophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-4-cyanophenyl)pyridine-4-carboxamide
PubChem CID107810212
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC Name2-amino-N-(2-chloro-4-cyanophenyl)pyridine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccnc(N)c2)c(Cl)c1
InChIInChI=1S/C13H9ClN4O/c14-10-5-8(7-15)1-2-11(10)18-13(19)9-3-4-17-12(16)6-9/h1-6H,(H2,16,17)(H,18,19)
InChIKeyXYZPDKDCULDAAU-UHFFFAOYSA-N
XLogP2.44
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-cyanophenyl)-2-fluoropyridine-4-carboxamide
CID 103799816
6-amino-N-(2-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 107810194
4-amino-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 107810218
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide
CID 82704028
2-amino-N-(2-cyano-4-fluorophenyl)pyridine-4-carboxamide
CID 82685570
N-(2-chloro-4-cyanophenyl)-6-methylpyridine-3-carboxamide
CID 103799813
2-cyano-N-(2,4-dichlorophenyl)pyridine-4-carboxamide
CID 112523952
3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 107806880
5-chloro-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 103811024
N-(2-chloro-4-cyanophenyl)-5-hydroxypyridine-3-carboxamide
CID 107808799
4-amino-N-(2-chloro-4-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 107808049

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-4-cyanophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(2-chloro-4-cyanophenyl)pyridine-4-carboxamide (CID 107810212) is 2-amino-N-(2-chloro-4-cyanophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-chloro-4-cyanophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-chloro-4-cyanophenyl)pyridine-4-carboxamide is N#Cc1ccc(NC(=O)c2ccnc(N)c2)c(Cl)c1.
What is the InChIKey of 2-amino-N-(2-chloro-4-cyanophenyl)pyridine-4-carboxamide?
The InChIKey is XYZPDKDCULDAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c14-10-5-8(7-15)1-2-11(10)18-13(19)9-3-4-17-12(16)6-9/h1-6H,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-N-(2-chloro-4-cyanophenyl)pyridine-4-carboxamide?
2-amino-N-(2-chloro-4-cyanophenyl)pyridine-4-carboxamide has a molecular weight of 272.70 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-4-cyanophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 107810212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).