N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[(3-cyanophenyl)methoxy]pyridine-3-carboxamide

C25H20ClN5O2 — CID 143772018

IUPACN-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[(3-cyanophenyl)methoxy]pyridine-3-carboxamide
SMILESCc1cnc(-c2cc(NC(=O)c3ccc(OCc4cccc(C#N)c4)nc3)ccc2Cl)n1C
InChIInChI=1S/C25H20ClN5O2/c1-16-13-29-24(31(16)2)21-11-20(7-8-22(21)26)30-25(32)19-6-9-23(28-14-19)33-15-18-5-3-4-17(10-18)12-27/h3-11,13-14H,15H2,1-2H3,(H,30,32)
InChIKeyLXGTVOLMJRXHPQ-UHFFFAOYSA-N
MW457.92 g/mol
LogP5.15
Rot. Bonds6

About N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[(3-cyanophenyl)methoxy]pyridine-3-carboxamide

N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[(3-cyanophenyl)methoxy]pyridine-3-carboxamide (PubChem CID 143772018) has the molecular formula C25H20ClN5O2 and a molecular weight of 457.92 g/mol. Its IUPAC name is N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[(3-cyanophenyl)methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[(3-cyanophenyl)methoxy]pyridine-3-carboxamide
PubChem CID143772018
Molecular FormulaC25H20ClN5O2
Molecular Weight457.92 g/mol
Exact Mass457.13
IUPAC NameN-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[(3-cyanophenyl)methoxy]pyridine-3-carboxamide
SMILESCc1cnc(-c2cc(NC(=O)c3ccc(OCc4cccc(C#N)c4)nc3)ccc2Cl)n1C
InChIInChI=1S/C25H20ClN5O2/c1-16-13-29-24(31(16)2)21-11-20(7-8-22(21)26)30-25(32)19-6-9-23(28-14-19)33-15-18-5-3-4-17(10-18)12-27/h3-11,13-14H,15H2,1-2H3,(H,30,32)
InChIKeyLXGTVOLMJRXHPQ-UHFFFAOYSA-N
XLogP5.15
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.92
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide
CID 71025336
6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide
CID 39001172
N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-piperazin-1-ylpyridine-3-carboxamide
CID 71025382
6-[(3-amino-3-methylbutyl)amino]-N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]pyridine-3-carboxamide
CID 71025359
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 39500397
N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[[(2S)-pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide
CID 71025360
N-(3-fluorophenyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368181
3-cyano-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide
CID 43069880
N-(3-chloro-4-cyanophenyl)-6-methoxypyridine-3-carboxamide
CID 134015998
3-[(5-fluoro-2-pyridinyl)oxymethyl]benzonitrile
CID 126955115
6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109163549
3-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-methylindole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[(3-cyanophenyl)methoxy]pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[(3-cyanophenyl)methoxy]pyridine-3-carboxamide (CID 143772018) is N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[(3-cyanophenyl)methoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[(3-cyanophenyl)methoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[(3-cyanophenyl)methoxy]pyridine-3-carboxamide is Cc1cnc(-c2cc(NC(=O)c3ccc(OCc4cccc(C#N)c4)nc3)ccc2Cl)n1C.
What is the InChIKey of N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[(3-cyanophenyl)methoxy]pyridine-3-carboxamide?
The InChIKey is LXGTVOLMJRXHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O2/c1-16-13-29-24(31(16)2)21-11-20(7-8-22(21)26)30-25(32)19-6-9-23(28-14-19)33-15-18-5-3-4-17(10-18)12-27/h3-11,13-14H,15H2,1-2H3,(H,30,32).
What are the key properties of N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[(3-cyanophenyl)methoxy]pyridine-3-carboxamide?
N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[(3-cyanophenyl)methoxy]pyridine-3-carboxamide has a molecular weight of 457.92 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[(3-cyanophenyl)methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 143772018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).