3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-4-carboxamide

C24H29N5OS — CID 33136416

IUPAC3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-4-carboxamide
SMILESCSc1nc(C2CC2)cc(C(=O)NCCCN2CCN(c3ccccc3)CC2)c1C#N
InChIInChI=1S/C24H29N5OS/c1-31-24-21(17-25)20(16-22(27-24)18-8-9-18)23(30)26-10-5-11-28-12-14-29(15-13-28)19-6-3-2-4-7-19/h2-4,6-7,16,18H,5,8-15H2,1H3,(H,26,30)
InChIKeyOHHVXHOQUHXSAC-UHFFFAOYSA-N
MW435.60 g/mol
LogP3.49
Rot. Bonds8

About 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-4-carboxamide

3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-4-carboxamide (PubChem CID 33136416) has the molecular formula C24H29N5OS and a molecular weight of 435.60 g/mol. Its IUPAC name is 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-4-carboxamide
PubChem CID33136416
Molecular FormulaC24H29N5OS
Molecular Weight435.60 g/mol
Exact Mass435.21
IUPAC Name3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-4-carboxamide
SMILESCSc1nc(C2CC2)cc(C(=O)NCCCN2CCN(c3ccccc3)CC2)c1C#N
InChIInChI=1S/C24H29N5OS/c1-31-24-21(17-25)20(16-22(27-24)18-8-9-18)23(30)26-10-5-11-28-12-14-29(15-13-28)19-6-3-2-4-7-19/h2-4,6-7,16,18H,5,8-15H2,1H3,(H,26,30)
InChIKeyOHHVXHOQUHXSAC-UHFFFAOYSA-N
XLogP3.49
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-4-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

2-chloro-5-methylsulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448922
3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 55679796
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224510
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide
CID 42224724
1,3,6-trimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 38447194
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466
6-cyclopropyl-2-methylsulfanyl-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]pyridine-3-carbonitrile
CID 38631470
2,4-dichloro-5-fluoro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33136012
2-N,2-N,6-trimethyl-5-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2,5-dicarboxamide
CID 86891495
2-methyl-5-methylsulfonyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55931172
2,3-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448999

Frequently Asked Questions

What is the IUPAC name of 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-4-carboxamide?
The IUPAC name of 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-4-carboxamide (CID 33136416) is 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-4-carboxamide?
The canonical SMILES for 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-4-carboxamide is CSc1nc(C2CC2)cc(C(=O)NCCCN2CCN(c3ccccc3)CC2)c1C#N.
What is the InChIKey of 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-4-carboxamide?
The InChIKey is OHHVXHOQUHXSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5OS/c1-31-24-21(17-25)20(16-22(27-24)18-8-9-18)23(30)26-10-5-11-28-12-14-29(15-13-28)19-6-3-2-4-7-19/h2-4,6-7,16,18H,5,8-15H2,1H3,(H,26,30).
What are the key properties of 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-4-carboxamide?
3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-4-carboxamide has a molecular weight of 435.60 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 33136416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).