4-(4-cyano-2-pyridinyl)-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxamide

C25H24N6O2 — CID 154807018

IUPAC4-(4-cyano-2-pyridinyl)-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N1CCN(c2cc(C#N)ccn2)CC1
InChIInChI=1S/C25H24N6O2/c1-18-7-8-20(24(32)28-21-5-3-2-4-6-21)16-22(18)29-25(33)31-13-11-30(12-14-31)23-15-19(17-26)9-10-27-23/h2-10,15-16H,11-14H2,1H3,(H,28,32)(H,29,33)
InChIKeyOGCYAMPELRBRAA-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.87
Rot. Bonds4

About 4-(4-cyano-2-pyridinyl)-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxamide

4-(4-cyano-2-pyridinyl)-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxamide (PubChem CID 154807018) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 4-(4-cyano-2-pyridinyl)-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-cyano-2-pyridinyl)-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxamide
PubChem CID154807018
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name4-(4-cyano-2-pyridinyl)-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N1CCN(c2cc(C#N)ccn2)CC1
InChIInChI=1S/C25H24N6O2/c1-18-7-8-20(24(32)28-21-5-3-2-4-6-21)16-22(18)29-25(33)31-13-11-30(12-14-31)23-15-19(17-26)9-10-27-23/h2-10,15-16H,11-14H2,1H3,(H,28,32)(H,29,33)
InChIKeyOGCYAMPELRBRAA-UHFFFAOYSA-N
XLogP3.87
TPSA101.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-cyano-2-pyridinyl)-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-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

4-(furan-2-carbonyl)-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 52624883
N-(3-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174626
N-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 55568938
3-[(3-cyanophenyl)carbamoylamino]-4-methyl-N-phenylbenzamide
CID 141480879
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
N-(3-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174704
1-[4-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 55832394
4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 2746537
3-methyl-1-[[2-methyl-5-(phenylcarbamoyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122076054
N-[3-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55539770
2-[4-[2-(2-methylphenyl)sulfanylacetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 38261707
N-(5-cyano-2-methylphenyl)azepane-1-carboxamide
CID 78983990

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-pyridinyl)-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-cyano-2-pyridinyl)-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxamide (CID 154807018) is 4-(4-cyano-2-pyridinyl)-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-cyano-2-pyridinyl)-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-cyano-2-pyridinyl)-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxamide is Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N1CCN(c2cc(C#N)ccn2)CC1.
What is the InChIKey of 4-(4-cyano-2-pyridinyl)-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxamide?
The InChIKey is OGCYAMPELRBRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-18-7-8-20(24(32)28-21-5-3-2-4-6-21)16-22(18)29-25(33)31-13-11-30(12-14-31)23-15-19(17-26)9-10-27-23/h2-10,15-16H,11-14H2,1H3,(H,28,32)(H,29,33).
What are the key properties of 4-(4-cyano-2-pyridinyl)-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxamide?
4-(4-cyano-2-pyridinyl)-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-pyridinyl)-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 154807018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).