4-chloro-N-(5-chloro-2-cyanophenyl)-6-methylpyridine-3-carboxamide

C14H9Cl2N3O — CID 81226633

IUPAC4-chloro-N-(5-chloro-2-cyanophenyl)-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)Nc2cc(Cl)ccc2C#N)cn1
InChIInChI=1S/C14H9Cl2N3O/c1-8-4-12(16)11(7-18-8)14(20)19-13-5-10(15)3-2-9(13)6-17/h2-5,7H,1H3,(H,19,20)
InChIKeyKSZPPSIVIWHGNR-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.82
Rot. Bonds2

About 4-chloro-N-(5-chloro-2-cyanophenyl)-6-methylpyridine-3-carboxamide

4-chloro-N-(5-chloro-2-cyanophenyl)-6-methylpyridine-3-carboxamide (PubChem CID 81226633) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-cyanophenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-cyanophenyl)-6-methylpyridine-3-carboxamide
PubChem CID81226633
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name4-chloro-N-(5-chloro-2-cyanophenyl)-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)Nc2cc(Cl)ccc2C#N)cn1
InChIInChI=1S/C14H9Cl2N3O/c1-8-4-12(16)11(7-18-8)14(20)19-13-5-10(15)3-2-9(13)6-17/h2-5,7H,1H3,(H,19,20)
InChIKeyKSZPPSIVIWHGNR-UHFFFAOYSA-N
XLogP3.82
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 106861258
3-chloro-N-(5-chloro-2-cyanophenyl)pyridine-4-carboxamide
CID 66463010
N-(5-chloro-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 60710472
4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81226761
5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide
CID 60628665
N-(5-chloro-2-cyanophenyl)-3-hydroxypyridine-4-carboxamide
CID 81446338
4-chloro-N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81225292
2-chloro-N-(5-chloro-2-cyanophenyl)-5-hydroxybenzamide
CID 106501019
4-chloro-N-(5-chloro-2-pyridinyl)-6-methylpyridine-3-carboxamide
CID 81225634
N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 60628684
N-(5-chloro-2-cyanophenyl)-2,5-dimethylfuran-3-carboxamide
CID 60628705
2-chloro-N-(5-chloro-2-cyanophenyl)furan-3-carboxamide
CID 106684843

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-cyanophenyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-cyanophenyl)-6-methylpyridine-3-carboxamide (CID 81226633) is 4-chloro-N-(5-chloro-2-cyanophenyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-cyanophenyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-cyanophenyl)-6-methylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)Nc2cc(Cl)ccc2C#N)cn1.
What is the InChIKey of 4-chloro-N-(5-chloro-2-cyanophenyl)-6-methylpyridine-3-carboxamide?
The InChIKey is KSZPPSIVIWHGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c1-8-4-12(16)11(7-18-8)14(20)19-13-5-10(15)3-2-9(13)6-17/h2-5,7H,1H3,(H,19,20).
What are the key properties of 4-chloro-N-(5-chloro-2-cyanophenyl)-6-methylpyridine-3-carboxamide?
4-chloro-N-(5-chloro-2-cyanophenyl)-6-methylpyridine-3-carboxamide has a molecular weight of 306.15 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2-cyanophenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81226633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).