N-(3-cyanophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide

C19H21N5O — CID 109230708

IUPACN-(3-cyanophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCN1CCN(c2cncc(C(=O)Nc3cccc(C#N)c3)c2)CC1
InChIInChI=1S/C19H21N5O/c1-2-23-6-8-24(9-7-23)18-11-16(13-21-14-18)19(25)22-17-5-3-4-15(10-17)12-20/h3-5,10-11,13-14H,2,6-9H2,1H3,(H,22,25)
InChIKeyMBHXIPAWXMNCGO-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.35
Rot. Bonds4

About N-(3-cyanophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide

N-(3-cyanophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109230708) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109230708
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-(3-cyanophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCN1CCN(c2cncc(C(=O)Nc3cccc(C#N)c3)c2)CC1
InChIInChI=1S/C19H21N5O/c1-2-23-6-8-24(9-7-23)18-11-16(13-21-14-18)19(25)22-17-5-3-4-15(10-17)12-20/h3-5,10-11,13-14H,2,6-9H2,1H3,(H,22,25)
InChIKeyMBHXIPAWXMNCGO-UHFFFAOYSA-N
XLogP2.35
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230698
N-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208697
N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230650
5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230669
N-(3-cyanophenyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109246061
5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109230694
N-(3-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225773
3-N-(3-cyanophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108491
5-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109230711
N-(3-cyanophenyl)-3-piperazin-1-ylbenzamide
CID 28749044
N-[3-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 155955616
N-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159609

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide (CID 109230708) is N-(3-cyanophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide is CCN1CCN(c2cncc(C(=O)Nc3cccc(C#N)c3)c2)CC1.
What is the InChIKey of N-(3-cyanophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is MBHXIPAWXMNCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-2-23-6-8-24(9-7-23)18-11-16(13-21-14-18)19(25)22-17-5-3-4-15(10-17)12-20/h3-5,10-11,13-14H,2,6-9H2,1H3,(H,22,25).
What are the key properties of N-(3-cyanophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
N-(3-cyanophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109230708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).