N-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide

C19H21N5O — CID 109208697

IUPACN-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCN1CCN(c2ccnc(C(=O)Nc3cccc(C#N)c3)c2)CC1
InChIInChI=1S/C19H21N5O/c1-2-23-8-10-24(11-9-23)17-6-7-21-18(13-17)19(25)22-16-5-3-4-15(12-16)14-20/h3-7,12-13H,2,8-11H2,1H3,(H,22,25)
InChIKeyBMAOOQKCYVBKLB-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.35
Rot. Bonds4

About N-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide

N-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109208697) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109208697
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCN1CCN(c2ccnc(C(=O)Nc3cccc(C#N)c3)c2)CC1
InChIInChI=1S/C19H21N5O/c1-2-23-8-10-24(11-9-23)17-6-7-21-18(13-17)19(25)22-16-5-3-4-15(12-16)14-20/h3-7,12-13H,2,8-11H2,1H3,(H,22,25)
InChIKeyBMAOOQKCYVBKLB-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

Analyze N-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetamidophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208668
N-(3-chlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208641
N-(3-cyanophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230708
N-(3-cyanophenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218300
3-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109208546
N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide
CID 109216610
N-(4-cyanophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109216287
N-(4-cyanophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209001
N-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193469
3-(4-ethylpiperazin-1-yl)benzonitrile
CID 83779762
2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077804
4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109222713

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide (CID 109208697) is N-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide is CCN1CCN(c2ccnc(C(=O)Nc3cccc(C#N)c3)c2)CC1.
What is the InChIKey of N-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is BMAOOQKCYVBKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-2-23-8-10-24(11-9-23)17-6-7-21-18(13-17)19(25)22-16-5-3-4-15(12-16)14-20/h3-7,12-13H,2,8-11H2,1H3,(H,22,25).
What are the key properties of N-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
N-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-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)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109208697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).