(5-cyclopropyl-6-methoxy-2-pyridinyl)-(4-cyclopropylsulfanyl-3-methylphenyl)methanone

C20H21NO2S — CID 58452885

IUPAC(5-cyclopropyl-6-methoxy-2-pyridinyl)-(4-cyclopropylsulfanyl-3-methylphenyl)methanone
SMILESCOc1nc(C(=O)c2ccc(SC3CC3)c(C)c2)ccc1C1CC1
InChIInChI=1S/C20H21NO2S/c1-12-11-14(5-10-18(12)24-15-6-7-15)19(22)17-9-8-16(13-3-4-13)20(21-17)23-2/h5,8-11,13,15H,3-4,6-7H2,1-2H3
InChIKeyTVRWDQZNJMMMET-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.76
Rot. Bonds6

About (5-cyclopropyl-6-methoxy-2-pyridinyl)-(4-cyclopropylsulfanyl-3-methylphenyl)methanone

(5-cyclopropyl-6-methoxy-2-pyridinyl)-(4-cyclopropylsulfanyl-3-methylphenyl)methanone (PubChem CID 58452885) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is (5-cyclopropyl-6-methoxy-2-pyridinyl)-(4-cyclopropylsulfanyl-3-methylphenyl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-6-methoxy-2-pyridinyl)-(4-cyclopropylsulfanyl-3-methylphenyl)methanone
PubChem CID58452885
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC Name(5-cyclopropyl-6-methoxy-2-pyridinyl)-(4-cyclopropylsulfanyl-3-methylphenyl)methanone
SMILESCOc1nc(C(=O)c2ccc(SC3CC3)c(C)c2)ccc1C1CC1
InChIInChI=1S/C20H21NO2S/c1-12-11-14(5-10-18(12)24-15-6-7-15)19(22)17-9-8-16(13-3-4-13)20(21-17)23-2/h5,8-11,13,15H,3-4,6-7H2,1-2H3
InChIKeyTVRWDQZNJMMMET-UHFFFAOYSA-N
XLogP4.76
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-cyclopropyl-6-methoxy-2-pyridinyl)-(4-cyclopropylsulfanyl-3-methylphenyl)methanone with MolForge

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Related Compounds

(3-chloro-4-propan-2-ylphenyl)-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone
CID 58452587
[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone
CID 67396211
[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone
CID 58452780
3-cyclopropyl-2-methoxy-6-[1-(4-propan-2-ylphenyl)ethenyl]pyridine
CID 141310429
(5R)-5-[2-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-(4-methylsulfanylphenyl)ethenyl]pyrrolidin-2-one
CID 67400669
tert-butyl (2R)-2-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]-5-oxopyrrolidine-1-carboxylate
CID 123656564
(5-cyclopropyl-6-methoxy-2-pyridinyl)methanol
CID 67396693
(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanone
CID 12623269
(6-methoxy-5-propan-2-yl-2-pyridinyl)-(4-methylsulfanylphenyl)methanone
CID 58452801
(5-chloro-6-methoxy-2-pyridinyl)-(4-methoxyphenyl)methanone
CID 58452562
(5R)-5-[(E)-2-[3-chloro-4-(trifluoromethyl)phenyl]-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
CID 67398778
6-[(Z)-3-cyclopentyl-1-(4-cyclopropylsulfanylphenyl)prop-1-enyl]-2-methoxy-3-methylpyridine
CID 67399557

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-6-methoxy-2-pyridinyl)-(4-cyclopropylsulfanyl-3-methylphenyl)methanone?
The IUPAC name of (5-cyclopropyl-6-methoxy-2-pyridinyl)-(4-cyclopropylsulfanyl-3-methylphenyl)methanone (CID 58452885) is (5-cyclopropyl-6-methoxy-2-pyridinyl)-(4-cyclopropylsulfanyl-3-methylphenyl)methanone.
What is the SMILES notation for (5-cyclopropyl-6-methoxy-2-pyridinyl)-(4-cyclopropylsulfanyl-3-methylphenyl)methanone?
The canonical SMILES for (5-cyclopropyl-6-methoxy-2-pyridinyl)-(4-cyclopropylsulfanyl-3-methylphenyl)methanone is COc1nc(C(=O)c2ccc(SC3CC3)c(C)c2)ccc1C1CC1.
What is the InChIKey of (5-cyclopropyl-6-methoxy-2-pyridinyl)-(4-cyclopropylsulfanyl-3-methylphenyl)methanone?
The InChIKey is TVRWDQZNJMMMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S/c1-12-11-14(5-10-18(12)24-15-6-7-15)19(22)17-9-8-16(13-3-4-13)20(21-17)23-2/h5,8-11,13,15H,3-4,6-7H2,1-2H3.
What are the key properties of (5-cyclopropyl-6-methoxy-2-pyridinyl)-(4-cyclopropylsulfanyl-3-methylphenyl)methanone?
(5-cyclopropyl-6-methoxy-2-pyridinyl)-(4-cyclopropylsulfanyl-3-methylphenyl)methanone has a molecular weight of 339.46 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-6-methoxy-2-pyridinyl)-(4-cyclopropylsulfanyl-3-methylphenyl)methanone is sourced from PubChem (CID 58452885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).