5-cyano-6-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide

C24H23N5O2S — CID 660138

IUPAC5-cyano-6-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccncc2)C(C#N)=C(SCC(=O)NC2CC2)N1
InChIInChI=1S/C24H23N5O2S/c1-15-21(23(31)29-17-5-3-2-4-6-17)22(16-9-11-26-12-10-16)19(13-25)24(27-15)32-14-20(30)28-18-7-8-18/h2-6,9-12,18,22,27H,7-8,14H2,1H3,(H,28,30)(H,29,31)
InChIKeyWUIBLIMGBMEKLB-UHFFFAOYSA-N
MW445.55 g/mol
LogP3.43
Rot. Bonds7

About 5-cyano-6-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide

5-cyano-6-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide (PubChem CID 660138) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is 5-cyano-6-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-6-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide
PubChem CID660138
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC Name5-cyano-6-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccncc2)C(C#N)=C(SCC(=O)NC2CC2)N1
InChIInChI=1S/C24H23N5O2S/c1-15-21(23(31)29-17-5-3-2-4-6-17)22(16-9-11-26-12-10-16)19(13-25)24(27-15)32-14-20(30)28-18-7-8-18/h2-6,9-12,18,22,27H,7-8,14H2,1H3,(H,28,30)(H,29,31)
InChIKeyWUIBLIMGBMEKLB-UHFFFAOYSA-N
XLogP3.43
TPSA106.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-cyano-6-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-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 5-cyano-6-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide?
The IUPAC name of 5-cyano-6-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide (CID 660138) is 5-cyano-6-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-6-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide?
The canonical SMILES for 5-cyano-6-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2ccncc2)C(C#N)=C(SCC(=O)NC2CC2)N1.
What is the InChIKey of 5-cyano-6-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide?
The InChIKey is WUIBLIMGBMEKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-15-21(23(31)29-17-5-3-2-4-6-17)22(16-9-11-26-12-10-16)19(13-25)24(27-15)32-14-20(30)28-18-7-8-18/h2-6,9-12,18,22,27H,7-8,14H2,1H3,(H,28,30)(H,29,31).
What are the key properties of 5-cyano-6-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide?
5-cyano-6-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide has a molecular weight of 445.55 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-6-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide is sourced from PubChem (CID 660138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).