2-(difluoromethylsulfanyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide

C14H13F2N3O2S — CID 18167359

IUPAC2-(difluoromethylsulfanyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCOc1cc(CNC(=O)c2cccnc2SC(F)F)ccn1
InChIInChI=1S/C14H13F2N3O2S/c1-21-11-7-9(4-6-17-11)8-19-12(20)10-3-2-5-18-13(10)22-14(15)16/h2-7,14H,8H2,1H3,(H,19,20)
InChIKeyOMBOPMWKUPKSGA-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.73
Rot. Bonds6

About 2-(difluoromethylsulfanyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide

2-(difluoromethylsulfanyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 18167359) has the molecular formula C14H13F2N3O2S and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID18167359
Molecular FormulaC14H13F2N3O2S
Molecular Weight325.34 g/mol
Exact Mass325.07
IUPAC Name2-(difluoromethylsulfanyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCOc1cc(CNC(=O)c2cccnc2SC(F)F)ccn1
InChIInChI=1S/C14H13F2N3O2S/c1-21-11-7-9(4-6-17-11)8-19-12(20)10-3-2-5-18-13(10)22-14(15)16/h2-7,14H,8H2,1H3,(H,19,20)
InChIKeyOMBOPMWKUPKSGA-UHFFFAOYSA-N
XLogP2.73
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(difluoromethylsulfanyl)-N-[[3-(phenoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 55954790
2-(difluoromethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 24553021
2-(difluoromethylsulfanyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 55858888
3-fluoro-2-hydrazinyl-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62989936
4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]naphthalene-1-carboxamide
CID 18277956
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
N-[(2-methoxy-4-pyridinyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 55530430
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 49480282
5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpyridine-2-carboxamide
CID 146080383
2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 24628486
2-(difluoromethylsulfanyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 27865728
3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62072661

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide (CID 18167359) is 2-(difluoromethylsulfanyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide is COc1cc(CNC(=O)c2cccnc2SC(F)F)ccn1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is OMBOPMWKUPKSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O2S/c1-21-11-7-9(4-6-17-11)8-19-12(20)10-3-2-5-18-13(10)22-14(15)16/h2-7,14H,8H2,1H3,(H,19,20).
What are the key properties of 2-(difluoromethylsulfanyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide?
2-(difluoromethylsulfanyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 18167359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).