6-[(Z)-3-cyclopentyl-1-(4-cyclopropylsulfanylphenyl)prop-1-enyl]-2-methoxy-3-methylpyridine

C24H29NOS — CID 67399557

IUPAC6-[(Z)-3-cyclopentyl-1-(4-cyclopropylsulfanylphenyl)prop-1-enyl]-2-methoxy-3-methylpyridine
SMILESCOc1nc(/C(=C\CC2CCCC2)c2ccc(SC3CC3)cc2)ccc1C
InChIInChI=1S/C24H29NOS/c1-17-7-16-23(25-24(17)26-2)22(15-8-18-5-3-4-6-18)19-9-11-20(12-10-19)27-21-13-14-21/h7,9-12,15-16,18,21H,3-6,8,13-14H2,1-2H3/b22-15-
InChIKeyJORFVJQKPHZOFB-JCMHNJIXSA-N
MW379.57 g/mol
LogP6.67
Rot. Bonds7

About 6-[(Z)-3-cyclopentyl-1-(4-cyclopropylsulfanylphenyl)prop-1-enyl]-2-methoxy-3-methylpyridine

6-[(Z)-3-cyclopentyl-1-(4-cyclopropylsulfanylphenyl)prop-1-enyl]-2-methoxy-3-methylpyridine (PubChem CID 67399557) has the molecular formula C24H29NOS and a molecular weight of 379.57 g/mol. Its IUPAC name is 6-[(Z)-3-cyclopentyl-1-(4-cyclopropylsulfanylphenyl)prop-1-enyl]-2-methoxy-3-methylpyridine.

Molecular Properties

Compound Name6-[(Z)-3-cyclopentyl-1-(4-cyclopropylsulfanylphenyl)prop-1-enyl]-2-methoxy-3-methylpyridine
PubChem CID67399557
Molecular FormulaC24H29NOS
Molecular Weight379.57 g/mol
Exact Mass379.20
IUPAC Name6-[(Z)-3-cyclopentyl-1-(4-cyclopropylsulfanylphenyl)prop-1-enyl]-2-methoxy-3-methylpyridine
SMILESCOc1nc(/C(=C\CC2CCCC2)c2ccc(SC3CC3)cc2)ccc1C
InChIInChI=1S/C24H29NOS/c1-17-7-16-23(25-24(17)26-2)22(15-8-18-5-3-4-6-18)19-9-11-20(12-10-19)27-21-13-14-21/h7,9-12,15-16,18,21H,3-6,8,13-14H2,1-2H3/b22-15-
InChIKeyJORFVJQKPHZOFB-JCMHNJIXSA-N
XLogP6.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.57
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[(Z)-3-cyclopentyl-1-(4-cyclopropylsulfanylphenyl)prop-1-enyl]-2-methoxy-3-methylpyridine 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

6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-2-methoxy-3-methylpyridine
CID 67396351
3-chloro-6-[1-(4-cyclopropylsulfanylphenyl)-2-pyrrolidin-3-ylethenyl]-2-methoxypyridine
CID 77278403
1-[(3R)-3-[2-(5-chloro-6-methoxy-2-pyridinyl)-2-(4-cyclopropylsulfanylphenyl)ethenyl]pyrrolidin-1-yl]propan-1-one
CID 67398853
3-chloro-6-[(E)-2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-2-methoxypyridine
CID 67401232
1-cyclohexylsulfanyl-4-methoxybenzene
CID 13011159
tert-butyl-[4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-4-(4-methylsulfanylphenyl)but-3-enoxy]-dimethylsilane
CID 67396126
3-(4-cyclopropylsulfanylphenyl)-3-(4-iodophenyl)prop-2-en-1-ol
CID 67145776
(5R)-5-[2-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-(4-methylsulfanylphenyl)ethenyl]pyrrolidin-2-one
CID 67400669
(5-cyclopropyl-6-methoxy-2-pyridinyl)-(4-cyclopropylsulfanyl-3-methylphenyl)methanone
CID 58452885
1-(4-cyclopentylsulfanylphenyl)propan-1-one
CID 82496466
N-(cyclohexylmethyl)-4-cyclopentylsulfanylaniline
CID 43726315
1-cyclopropylsulfanyl-4-methylbenzene
CID 12836423

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-3-cyclopentyl-1-(4-cyclopropylsulfanylphenyl)prop-1-enyl]-2-methoxy-3-methylpyridine?
The IUPAC name of 6-[(Z)-3-cyclopentyl-1-(4-cyclopropylsulfanylphenyl)prop-1-enyl]-2-methoxy-3-methylpyridine (CID 67399557) is 6-[(Z)-3-cyclopentyl-1-(4-cyclopropylsulfanylphenyl)prop-1-enyl]-2-methoxy-3-methylpyridine.
What is the SMILES notation for 6-[(Z)-3-cyclopentyl-1-(4-cyclopropylsulfanylphenyl)prop-1-enyl]-2-methoxy-3-methylpyridine?
The canonical SMILES for 6-[(Z)-3-cyclopentyl-1-(4-cyclopropylsulfanylphenyl)prop-1-enyl]-2-methoxy-3-methylpyridine is COc1nc(/C(=C\CC2CCCC2)c2ccc(SC3CC3)cc2)ccc1C.
What is the InChIKey of 6-[(Z)-3-cyclopentyl-1-(4-cyclopropylsulfanylphenyl)prop-1-enyl]-2-methoxy-3-methylpyridine?
The InChIKey is JORFVJQKPHZOFB-JCMHNJIXSA-N. The full InChI is InChI=1S/C24H29NOS/c1-17-7-16-23(25-24(17)26-2)22(15-8-18-5-3-4-6-18)19-9-11-20(12-10-19)27-21-13-14-21/h7,9-12,15-16,18,21H,3-6,8,13-14H2,1-2H3/b22-15-.
What are the key properties of 6-[(Z)-3-cyclopentyl-1-(4-cyclopropylsulfanylphenyl)prop-1-enyl]-2-methoxy-3-methylpyridine?
6-[(Z)-3-cyclopentyl-1-(4-cyclopropylsulfanylphenyl)prop-1-enyl]-2-methoxy-3-methylpyridine has a molecular weight of 379.57 g/mol, XLogP of 6.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-3-cyclopentyl-1-(4-cyclopropylsulfanylphenyl)prop-1-enyl]-2-methoxy-3-methylpyridine is sourced from PubChem (CID 67399557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).