5-chloro-6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-3-carboxamide

C20H15ClN4O2 — CID 133294464

IUPAC5-chloro-6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-3-carboxamide
SMILESN#Cc1cccc(COc2ccc(Nc3ncc(C(N)=O)cc3Cl)cc2)c1
InChIInChI=1S/C20H15ClN4O2/c21-18-9-15(19(23)26)11-24-20(18)25-16-4-6-17(7-5-16)27-12-14-3-1-2-13(8-14)10-22/h1-9,11H,12H2,(H2,23,26)(H,24,25)
InChIKeyVCEXNBAGSWRFMZ-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.03
Rot. Bonds6

About 5-chloro-6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-3-carboxamide

5-chloro-6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-3-carboxamide (PubChem CID 133294464) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 5-chloro-6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-3-carboxamide
PubChem CID133294464
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name5-chloro-6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-3-carboxamide
SMILESN#Cc1cccc(COc2ccc(Nc3ncc(C(N)=O)cc3Cl)cc2)c1
InChIInChI=1S/C20H15ClN4O2/c21-18-9-15(19(23)26)11-24-20(18)25-16-4-6-17(7-5-16)27-12-14-3-1-2-13(8-14)10-22/h1-9,11H,12H2,(H2,23,26)(H,24,25)
InChIKeyVCEXNBAGSWRFMZ-UHFFFAOYSA-N
XLogP4.03
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide
CID 39001172
6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-2-carbonitrile
CID 133392430
4-[[2-[3-chloro-4-[(3-cyanophenyl)methoxy]anilino]-2-oxoethyl]amino]benzamide
CID 154832712
3-[[4-(methylamino)phenoxy]methyl]benzonitrile
CID 61026564
N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide
CID 39501157
3-chloro-4-[(3-cyanophenyl)methoxy]benzoic acid
CID 60711872
5-chloro-6-[3-(2,2-difluoroethoxy)-4-methylanilino]pyridine-3-carboxamide
CID 133294137
5-chloro-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridine-3-carboxamide
CID 133477282
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 87010307
2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide
CID 43711069
4-bromo-2-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]benzamide
CID 60512198
3-[[6-(hydroxymethyl)-3-pyridinyl]oxymethyl]benzonitrile
CID 79800273

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-3-carboxamide (CID 133294464) is 5-chloro-6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-3-carboxamide is N#Cc1cccc(COc2ccc(Nc3ncc(C(N)=O)cc3Cl)cc2)c1.
What is the InChIKey of 5-chloro-6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-3-carboxamide?
The InChIKey is VCEXNBAGSWRFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c21-18-9-15(19(23)26)11-24-20(18)25-16-4-6-17(7-5-16)27-12-14-3-1-2-13(8-14)10-22/h1-9,11H,12H2,(H2,23,26)(H,24,25).
What are the key properties of 5-chloro-6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-3-carboxamide?
5-chloro-6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-3-carboxamide has a molecular weight of 378.82 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-3-carboxamide is sourced from PubChem (CID 133294464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).