4-chloro-2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide

C18H18ClFN2O2S — CID 138646045

IUPAC4-chloro-2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide
SMILESCSc1ccc(CNC(=O)c2c(Cl)ccnc2OCC2CC2)cc1F
InChIInChI=1S/C18H18ClFN2O2S/c1-25-15-5-4-12(8-14(15)20)9-22-17(23)16-13(19)6-7-21-18(16)24-10-11-2-3-11/h4-8,11H,2-3,9-10H2,1H3,(H,22,23)
InChIKeyCGLCROIFUUFMPH-UHFFFAOYSA-N
MW380.87 g/mol
LogP4.31
Rot. Bonds7

About 4-chloro-2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide

4-chloro-2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 138646045) has the molecular formula C18H18ClFN2O2S and a molecular weight of 380.87 g/mol. Its IUPAC name is 4-chloro-2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide
PubChem CID138646045
Molecular FormulaC18H18ClFN2O2S
Molecular Weight380.87 g/mol
Exact Mass380.08
IUPAC Name4-chloro-2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide
SMILESCSc1ccc(CNC(=O)c2c(Cl)ccnc2OCC2CC2)cc1F
InChIInChI=1S/C18H18ClFN2O2S/c1-25-15-5-4-12(8-14(15)20)9-22-17(23)16-13(19)6-7-21-18(16)24-10-11-2-3-11/h4-8,11H,2-3,9-10H2,1H3,(H,22,23)
InChIKeyCGLCROIFUUFMPH-UHFFFAOYSA-N
XLogP4.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide (CID 138646045) is 4-chloro-2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide is CSc1ccc(CNC(=O)c2c(Cl)ccnc2OCC2CC2)cc1F.
What is the InChIKey of 4-chloro-2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is CGLCROIFUUFMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2S/c1-25-15-5-4-12(8-14(15)20)9-22-17(23)16-13(19)6-7-21-18(16)24-10-11-2-3-11/h4-8,11H,2-3,9-10H2,1H3,(H,22,23).
What are the key properties of 4-chloro-2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide?
4-chloro-2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 380.87 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 138646045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).