3-(4-cyanophenyl)-N-[5-[3-(4-cyanophenyl)propanoylamino]-6-(methylamino)-3-pyridinyl]propanamide

C26H24N6O2 — CID 23296537

IUPAC3-(4-cyanophenyl)-N-[5-[3-(4-cyanophenyl)propanoylamino]-6-(methylamino)-3-pyridinyl]propanamide
SMILESCNc1ncc(NC(=O)CCc2ccc(C#N)cc2)cc1NC(=O)CCc1ccc(C#N)cc1
InChIInChI=1S/C26H24N6O2/c1-29-26-23(32-25(34)13-11-19-4-8-21(16-28)9-5-19)14-22(17-30-26)31-24(33)12-10-18-2-6-20(15-27)7-3-18/h2-9,14,17H,10-13H2,1H3,(H,29,30)(H,31,33)(H,32,34)
InChIKeyRVBZKAHAFCTEHN-UHFFFAOYSA-N
MW452.52 g/mol
LogP4.01
Rot. Bonds9

About 3-(4-cyanophenyl)-N-[5-[3-(4-cyanophenyl)propanoylamino]-6-(methylamino)-3-pyridinyl]propanamide

3-(4-cyanophenyl)-N-[5-[3-(4-cyanophenyl)propanoylamino]-6-(methylamino)-3-pyridinyl]propanamide (PubChem CID 23296537) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-[5-[3-(4-cyanophenyl)propanoylamino]-6-(methylamino)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-[5-[3-(4-cyanophenyl)propanoylamino]-6-(methylamino)-3-pyridinyl]propanamide
PubChem CID23296537
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC Name3-(4-cyanophenyl)-N-[5-[3-(4-cyanophenyl)propanoylamino]-6-(methylamino)-3-pyridinyl]propanamide
SMILESCNc1ncc(NC(=O)CCc2ccc(C#N)cc2)cc1NC(=O)CCc1ccc(C#N)cc1
InChIInChI=1S/C26H24N6O2/c1-29-26-23(32-25(34)13-11-19-4-8-21(16-28)9-5-19)14-22(17-30-26)31-24(33)12-10-18-2-6-20(15-27)7-3-18/h2-9,14,17H,10-13H2,1H3,(H,29,30)(H,31,33)(H,32,34)
InChIKeyRVBZKAHAFCTEHN-UHFFFAOYSA-N
XLogP4.01
TPSA130.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-cyanophenyl)-N-(2,5-difluorophenyl)propanamide
CID 41484985
3-(4-cyanophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 26126723
N-(2-chloro-4-fluorophenyl)-3-(4-cyanophenyl)propanamide
CID 41485117
3-(4-cyanophenyl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 41486884
3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 41485539
4-[3-(4-cyanophenyl)propanoylamino]benzamide
CID 41484593
3-(4-cyanophenyl)-N-(2,3,4-trifluorophenyl)propanamide
CID 41484942
3-(4-cyanophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 41499605
N-(5-cyano-2-pyridinyl)-3-(4-methoxyphenyl)propanamide
CID 62353143
ethyl 4-[3-(4-cyanophenyl)propanoylamino]benzoate
CID 41484605
3-(4-cyanophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 38034874
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-cyanophenyl)propanamide
CID 33228520

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-[5-[3-(4-cyanophenyl)propanoylamino]-6-(methylamino)-3-pyridinyl]propanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-[5-[3-(4-cyanophenyl)propanoylamino]-6-(methylamino)-3-pyridinyl]propanamide (CID 23296537) is 3-(4-cyanophenyl)-N-[5-[3-(4-cyanophenyl)propanoylamino]-6-(methylamino)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-[5-[3-(4-cyanophenyl)propanoylamino]-6-(methylamino)-3-pyridinyl]propanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-[5-[3-(4-cyanophenyl)propanoylamino]-6-(methylamino)-3-pyridinyl]propanamide is CNc1ncc(NC(=O)CCc2ccc(C#N)cc2)cc1NC(=O)CCc1ccc(C#N)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N-[5-[3-(4-cyanophenyl)propanoylamino]-6-(methylamino)-3-pyridinyl]propanamide?
The InChIKey is RVBZKAHAFCTEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-29-26-23(32-25(34)13-11-19-4-8-21(16-28)9-5-19)14-22(17-30-26)31-24(33)12-10-18-2-6-20(15-27)7-3-18/h2-9,14,17H,10-13H2,1H3,(H,29,30)(H,31,33)(H,32,34).
What are the key properties of 3-(4-cyanophenyl)-N-[5-[3-(4-cyanophenyl)propanoylamino]-6-(methylamino)-3-pyridinyl]propanamide?
3-(4-cyanophenyl)-N-[5-[3-(4-cyanophenyl)propanoylamino]-6-(methylamino)-3-pyridinyl]propanamide has a molecular weight of 452.52 g/mol, XLogP of 4.01, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-[5-[3-(4-cyanophenyl)propanoylamino]-6-(methylamino)-3-pyridinyl]propanamide is sourced from PubChem (CID 23296537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).