N-(2-cyanoethyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide

C26H22N4O2 — CID 78800017

IUPACN-(2-cyanoethyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(CCC#N)Cc3cccnc3)c3ccccc3n2)cc1
InChIInChI=1S/C26H22N4O2/c1-32-21-11-9-20(10-12-21)25-16-23(22-7-2-3-8-24(22)29-25)26(31)30(15-5-13-27)18-19-6-4-14-28-17-19/h2-4,6-12,14,16-17H,5,15,18H2,1H3
InChIKeyZFNIMZIYFVQJEI-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.86
Rot. Bonds7

About N-(2-cyanoethyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide

N-(2-cyanoethyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide (PubChem CID 78800017) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
PubChem CID78800017
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC NameN-(2-cyanoethyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(CCC#N)Cc3cccnc3)c3ccccc3n2)cc1
InChIInChI=1S/C26H22N4O2/c1-32-21-11-9-20(10-12-21)25-16-23(22-7-2-3-8-24(22)29-25)26(31)30(15-5-13-27)18-19-6-4-14-28-17-19/h2-4,6-12,14,16-17H,5,15,18H2,1H3
InChIKeyZFNIMZIYFVQJEI-UHFFFAOYSA-N
XLogP4.86
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-6-fluoro-2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 42750171
N-(2-cyanoethyl)-3-(4-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 3339948
N-(2-cyanoethyl)-1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42755412
2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]-(2-phenylethyl)amino]acetic acid
CID 110077127
N-(2-cyanoethyl)-4-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-2-carboxamide
CID 71999371
[2-(dibenzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 23988368
N-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 78796165
N-(2-cyanoethyl)-1-(4-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 3663326
N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 112795169
N-(2-cyanoethyl)-5-(2-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46170549
4-bromo-N-(2-cyanoethyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 99157401
N-(2-cyanoethyl)-4-(2-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 78821809

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide (CID 78800017) is N-(2-cyanoethyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)N(CCC#N)Cc3cccnc3)c3ccccc3n2)cc1.
What is the InChIKey of N-(2-cyanoethyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
The InChIKey is ZFNIMZIYFVQJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-32-21-11-9-20(10-12-21)25-16-23(22-7-2-3-8-24(22)29-25)26(31)30(15-5-13-27)18-19-6-4-14-28-17-19/h2-4,6-12,14,16-17H,5,15,18H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
N-(2-cyanoethyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 78800017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).