6-amino-3-chloro-N-(3-cyanophenyl)pyridine-2-carboxamide

C13H9ClN4O — CID 62156588

IUPAC6-amino-3-chloro-N-(3-cyanophenyl)pyridine-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2nc(N)ccc2Cl)c1
InChIInChI=1S/C13H9ClN4O/c14-10-4-5-11(16)18-12(10)13(19)17-9-3-1-2-8(6-9)7-15/h1-6H,(H2,16,18)(H,17,19)
InChIKeyRQTRBCXXXYJTGW-UHFFFAOYSA-N
MW272.70 g/mol
LogP2.44
Rot. Bonds2

About 6-amino-3-chloro-N-(3-cyanophenyl)pyridine-2-carboxamide

6-amino-3-chloro-N-(3-cyanophenyl)pyridine-2-carboxamide (PubChem CID 62156588) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is 6-amino-3-chloro-N-(3-cyanophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-3-chloro-N-(3-cyanophenyl)pyridine-2-carboxamide
PubChem CID62156588
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC Name6-amino-3-chloro-N-(3-cyanophenyl)pyridine-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2nc(N)ccc2Cl)c1
InChIInChI=1S/C13H9ClN4O/c14-10-4-5-11(16)18-12(10)13(19)17-9-3-1-2-8(6-9)7-15/h1-6H,(H2,16,18)(H,17,19)
InChIKeyRQTRBCXXXYJTGW-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

3-chloro-N-(3-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62166201
3,4,5,6-tetrachloro-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 26727984
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844
6-amino-3-chloro-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 62155906
5-amino-2,3-dichloro-N-(3-cyanophenyl)benzamide
CID 107183181
6-amino-3-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-2-carboxamide
CID 62152887
6-amino-3-chloro-N-(4-methylphenyl)pyridine-2-carboxamide
CID 55042017
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
6-amino-3-chloro-N-thiophen-3-ylpyridine-2-carboxamide
CID 66355896
3,6-dichloro-N-(3-hydroxyphenyl)pyridine-2-carboxamide
CID 60692218
5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 103803374
6-amino-3-chloro-N-quinolin-3-ylpyridine-2-carboxamide
CID 62805982

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-N-(3-cyanophenyl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-3-chloro-N-(3-cyanophenyl)pyridine-2-carboxamide (CID 62156588) is 6-amino-3-chloro-N-(3-cyanophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-3-chloro-N-(3-cyanophenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-3-chloro-N-(3-cyanophenyl)pyridine-2-carboxamide is N#Cc1cccc(NC(=O)c2nc(N)ccc2Cl)c1.
What is the InChIKey of 6-amino-3-chloro-N-(3-cyanophenyl)pyridine-2-carboxamide?
The InChIKey is RQTRBCXXXYJTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c14-10-4-5-11(16)18-12(10)13(19)17-9-3-1-2-8(6-9)7-15/h1-6H,(H2,16,18)(H,17,19).
What are the key properties of 6-amino-3-chloro-N-(3-cyanophenyl)pyridine-2-carboxamide?
6-amino-3-chloro-N-(3-cyanophenyl)pyridine-2-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 6-amino-3-chloro-N-(3-cyanophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 62156588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).