6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide

C20H14ClN3O2 — CID 39001172

IUPAC6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide
SMILESN#Cc1cccc(COc2cccc(NC(=O)c3ccc(Cl)nc3)c2)c1
InChIInChI=1S/C20H14ClN3O2/c21-19-8-7-16(12-23-19)20(25)24-17-5-2-6-18(10-17)26-13-15-4-1-3-14(9-15)11-22/h1-10,12H,13H2,(H,24,25)
InChIKeyFGMPZMQUZDOQQK-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.44
Rot. Bonds5

About 6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide

6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide (PubChem CID 39001172) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is 6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide
PubChem CID39001172
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Name6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide
SMILESN#Cc1cccc(COc2cccc(NC(=O)c3ccc(Cl)nc3)c2)c1
InChIInChI=1S/C20H14ClN3O2/c21-19-8-7-16(12-23-19)20(25)24-17-5-2-6-18(10-17)26-13-15-4-1-3-14(9-15)11-22/h1-10,12H,13H2,(H,24,25)
InChIKeyFGMPZMQUZDOQQK-UHFFFAOYSA-N
XLogP4.44
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide
CID 39501157
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 87010307
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 39500397
4-bromo-2-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]benzamide
CID 60512198
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide
CID 39501116
6-chloro-N-(3-prop-2-enoxyphenyl)pyridine-3-carboxamide
CID 47380551
3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide
CID 46594970
3-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-methylindole-2-carboxamide
CID 55962072
N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 39500262
N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(cyclopropylsulfamoyl)benzamide
CID 39499806
2-(2-chloro-6-fluorophenyl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
CID 39001170
4-bromo-N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 55689113

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide (CID 39001172) is 6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide is N#Cc1cccc(COc2cccc(NC(=O)c3ccc(Cl)nc3)c2)c1.
What is the InChIKey of 6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide?
The InChIKey is FGMPZMQUZDOQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c21-19-8-7-16(12-23-19)20(25)24-17-5-2-6-18(10-17)26-13-15-4-1-3-14(9-15)11-22/h1-10,12H,13H2,(H,24,25).
What are the key properties of 6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide?
6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide has a molecular weight of 363.80 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 39001172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).