N-(3-chloro-4-cyanophenyl)-6-methoxypyridine-3-carboxamide

C14H10ClN3O2 — CID 134015998

IUPACN-(3-chloro-4-cyanophenyl)-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cn1
InChIInChI=1S/C14H10ClN3O2/c1-20-13-5-3-10(8-17-13)14(19)18-11-4-2-9(7-16)12(15)6-11/h2-6,8H,1H3,(H,18,19)
InChIKeyRUNLDCVPOJHUER-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.87
Rot. Bonds3

About N-(3-chloro-4-cyanophenyl)-6-methoxypyridine-3-carboxamide

N-(3-chloro-4-cyanophenyl)-6-methoxypyridine-3-carboxamide (PubChem CID 134015998) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-6-methoxypyridine-3-carboxamide
PubChem CID134015998
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC NameN-(3-chloro-4-cyanophenyl)-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cn1
InChIInChI=1S/C14H10ClN3O2/c1-20-13-5-3-10(8-17-13)14(19)18-11-4-2-9(7-16)12(15)6-11/h2-6,8H,1H3,(H,18,19)
InChIKeyRUNLDCVPOJHUER-UHFFFAOYSA-N
XLogP2.87
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(3-chloro-4-cyanophenyl)-3,5-dimethoxybenzamide
CID 26702751
3-amino-N-(3-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 81093136
4-[(6-methoxypyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 63650775
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-4-carboxamide
CID 113255877
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 62241163
6-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-3-carboxamide
CID 27033587
3-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide
CID 82776170
N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide
CID 2113579
6-amino-N-(6-methoxy-3-pyridinyl)pyridine-3-carboxamide
CID 62060168
N-(3-chloro-4-cyanophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839832
N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55339628

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-6-methoxypyridine-3-carboxamide (CID 134015998) is N-(3-chloro-4-cyanophenyl)-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cn1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-6-methoxypyridine-3-carboxamide?
The InChIKey is RUNLDCVPOJHUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c1-20-13-5-3-10(8-17-13)14(19)18-11-4-2-9(7-16)12(15)6-11/h2-6,8H,1H3,(H,18,19).
What are the key properties of N-(3-chloro-4-cyanophenyl)-6-methoxypyridine-3-carboxamide?
N-(3-chloro-4-cyanophenyl)-6-methoxypyridine-3-carboxamide has a molecular weight of 287.71 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 134015998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).