N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(2,3,4,5-tetrahydropyridin-6-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide

C25H20Cl2N4OS — CID 91055302

IUPACN-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(2,3,4,5-tetrahydropyridin-6-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESN#Cc1c(-c2ccnc(NC(=O)C3CC3)c2)sc(C2=NCCCC2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H20Cl2N4OS/c26-16-6-7-17(19(27)12-16)22-18(13-28)23(33-24(22)20-3-1-2-9-29-20)15-8-10-30-21(11-15)31-25(32)14-4-5-14/h6-8,10-12,14H,1-5,9H2,(H,30,31,32)
InChIKeyAADPBKHOTCZAKB-UHFFFAOYSA-N
MW495.44 g/mol
LogP6.98
Rot. Bonds5

About N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(2,3,4,5-tetrahydropyridin-6-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(2,3,4,5-tetrahydropyridin-6-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 91055302) has the molecular formula C25H20Cl2N4OS and a molecular weight of 495.44 g/mol. Its IUPAC name is N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(2,3,4,5-tetrahydropyridin-6-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(2,3,4,5-tetrahydropyridin-6-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID91055302
Molecular FormulaC25H20Cl2N4OS
Molecular Weight495.44 g/mol
Exact Mass494.07
IUPAC NameN-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(2,3,4,5-tetrahydropyridin-6-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESN#Cc1c(-c2ccnc(NC(=O)C3CC3)c2)sc(C2=NCCCC2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H20Cl2N4OS/c26-16-6-7-17(19(27)12-16)22-18(13-28)23(33-24(22)20-3-1-2-9-29-20)15-8-10-30-21(11-15)31-25(32)14-4-5-14/h6-8,10-12,14H,1-5,9H2,(H,30,31,32)
InChIKeyAADPBKHOTCZAKB-UHFFFAOYSA-N
XLogP6.98
TPSA78.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.44
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(2,3,4,5-tetrahydropyridin-6-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide 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 N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(2,3,4,5-tetrahydropyridin-6-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(2,3,4,5-tetrahydropyridin-6-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide (CID 91055302) is N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(2,3,4,5-tetrahydropyridin-6-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(2,3,4,5-tetrahydropyridin-6-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(2,3,4,5-tetrahydropyridin-6-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide is N#Cc1c(-c2ccnc(NC(=O)C3CC3)c2)sc(C2=NCCCC2)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(2,3,4,5-tetrahydropyridin-6-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is AADPBKHOTCZAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N4OS/c26-16-6-7-17(19(27)12-16)22-18(13-28)23(33-24(22)20-3-1-2-9-29-20)15-8-10-30-21(11-15)31-25(32)14-4-5-14/h6-8,10-12,14H,1-5,9H2,(H,30,31,32).
What are the key properties of N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(2,3,4,5-tetrahydropyridin-6-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(2,3,4,5-tetrahydropyridin-6-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 495.44 g/mol, XLogP of 6.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-4-(2,4-dichlorophenyl)-5-(2,3,4,5-tetrahydropyridin-6-yl)thiophen-2-yl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 91055302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).