N-[4-[1-[1-(3-cyanophenyl)ethylamino]ethyl]phenyl]pyridine-4-carboxamide

C23H22N4O — CID 166200125

IUPACN-[4-[1-[1-(3-cyanophenyl)ethylamino]ethyl]phenyl]pyridine-4-carboxamide
SMILESCC(NC(C)c1cccc(C#N)c1)c1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C23H22N4O/c1-16(26-17(2)21-5-3-4-18(14-21)15-24)19-6-8-22(9-7-19)27-23(28)20-10-12-25-13-11-20/h3-14,16-17,26H,1-2H3,(H,27,28)
InChIKeyITYKBEMNHCULEM-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.62
Rot. Bonds6

About N-[4-[1-[1-(3-cyanophenyl)ethylamino]ethyl]phenyl]pyridine-4-carboxamide

N-[4-[1-[1-(3-cyanophenyl)ethylamino]ethyl]phenyl]pyridine-4-carboxamide (PubChem CID 166200125) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[4-[1-[1-(3-cyanophenyl)ethylamino]ethyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[1-[1-(3-cyanophenyl)ethylamino]ethyl]phenyl]pyridine-4-carboxamide
PubChem CID166200125
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC NameN-[4-[1-[1-(3-cyanophenyl)ethylamino]ethyl]phenyl]pyridine-4-carboxamide
SMILESCC(NC(C)c1cccc(C#N)c1)c1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C23H22N4O/c1-16(26-17(2)21-5-3-4-18(14-21)15-24)19-6-8-22(9-7-19)27-23(28)20-10-12-25-13-11-20/h3-14,16-17,26H,1-2H3,(H,27,28)
InChIKeyITYKBEMNHCULEM-UHFFFAOYSA-N
XLogP4.62
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
N-(3-cyanophenyl)-4-propan-2-ylbenzamide
CID 2552298
3-N-(3-cyanophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109057385
3-[1-(1-phenylethylamino)ethyl]benzonitrile
CID 43755971
3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 2649522
N-[4-[(1S)-1-(2-methylpropanoylamino)ethyl]phenyl]pyridine-4-carboxamide
CID 95378036
3-[1-[1-(3-hydroxyphenyl)ethylamino]ethyl]benzonitrile
CID 43791627
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]benzonitrile
CID 81367263
1-(3-cyanophenyl)-3-[4-(1-phenylethylamino)phenyl]urea
CID 60563611
4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109093227
3-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]benzonitrile
CID 81364071

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[1-(3-cyanophenyl)ethylamino]ethyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[1-[1-(3-cyanophenyl)ethylamino]ethyl]phenyl]pyridine-4-carboxamide (CID 166200125) is N-[4-[1-[1-(3-cyanophenyl)ethylamino]ethyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[1-[1-(3-cyanophenyl)ethylamino]ethyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[1-[1-(3-cyanophenyl)ethylamino]ethyl]phenyl]pyridine-4-carboxamide is CC(NC(C)c1cccc(C#N)c1)c1ccc(NC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[4-[1-[1-(3-cyanophenyl)ethylamino]ethyl]phenyl]pyridine-4-carboxamide?
The InChIKey is ITYKBEMNHCULEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-16(26-17(2)21-5-3-4-18(14-21)15-24)19-6-8-22(9-7-19)27-23(28)20-10-12-25-13-11-20/h3-14,16-17,26H,1-2H3,(H,27,28).
What are the key properties of N-[4-[1-[1-(3-cyanophenyl)ethylamino]ethyl]phenyl]pyridine-4-carboxamide?
N-[4-[1-[1-(3-cyanophenyl)ethylamino]ethyl]phenyl]pyridine-4-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[1-(3-cyanophenyl)ethylamino]ethyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 166200125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).