3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide

C24H25N5OS — CID 55967853

IUPAC3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide
SMILESCSc1nc(C2CC2)cc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)c1C#N
InChIInChI=1S/C24H25N5OS/c1-15(2)22-26-9-10-29(22)14-16-5-4-6-18(11-16)27-23(30)19-12-21(17-7-8-17)28-24(31-3)20(19)13-25/h4-6,9-12,15,17H,7-8,14H2,1-3H3,(H,27,30)
InChIKeyHONADFJIKQACAH-UHFFFAOYSA-N
MW431.57 g/mol
LogP5.17
Rot. Bonds7

About 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide

3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide (PubChem CID 55967853) has the molecular formula C24H25N5OS and a molecular weight of 431.57 g/mol. Its IUPAC name is 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide
PubChem CID55967853
Molecular FormulaC24H25N5OS
Molecular Weight431.57 g/mol
Exact Mass431.18
IUPAC Name3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide
SMILESCSc1nc(C2CC2)cc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)c1C#N
InChIInChI=1S/C24H25N5OS/c1-15(2)22-26-9-10-29(22)14-16-5-4-6-18(11-16)27-23(30)19-12-21(17-7-8-17)28-24(31-3)20(19)13-25/h4-6,9-12,15,17H,7-8,14H2,1-3H3,(H,27,30)
InChIKeyHONADFJIKQACAH-UHFFFAOYSA-N
XLogP5.17
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.57
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]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

Frequently Asked Questions

What is the IUPAC name of 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide (CID 55967853) is 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide is CSc1nc(C2CC2)cc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)c1C#N.
What is the InChIKey of 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is HONADFJIKQACAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS/c1-15(2)22-26-9-10-29(22)14-16-5-4-6-18(11-16)27-23(30)19-12-21(17-7-8-17)28-24(31-3)20(19)13-25/h4-6,9-12,15,17H,7-8,14H2,1-3H3,(H,27,30).
What are the key properties of 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide?
3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 431.57 g/mol, XLogP of 5.17, 7 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-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 55967853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).