2-(difluoromethylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide

C19H21F2N3OS — CID 17429690

IUPAC2-(difluoromethylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCC1)c1cccnc1SC(F)F
InChIInChI=1S/C19H21F2N3OS/c20-19(21)26-18-16(8-5-9-22-18)17(25)23-12-14-6-1-2-7-15(14)13-24-10-3-4-11-24/h1-2,5-9,19H,3-4,10-13H2,(H,23,25)
InChIKeyPKAOWZAJMKWBRO-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.92
Rot. Bonds7

About 2-(difluoromethylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide

2-(difluoromethylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 17429690) has the molecular formula C19H21F2N3OS and a molecular weight of 377.46 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID17429690
Molecular FormulaC19H21F2N3OS
Molecular Weight377.46 g/mol
Exact Mass377.14
IUPAC Name2-(difluoromethylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCC1)c1cccnc1SC(F)F
InChIInChI=1S/C19H21F2N3OS/c20-19(21)26-18-16(8-5-9-22-18)17(25)23-12-14-6-1-2-7-15(14)13-24-10-3-4-11-24/h1-2,5-9,19H,3-4,10-13H2,(H,23,25)
InChIKeyPKAOWZAJMKWBRO-UHFFFAOYSA-N
XLogP3.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethylsulfanyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 24551024
2-(difluoromethylsulfanyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 27865728
N-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide
CID 46489598
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide
CID 31644651
2-(difluoromethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 24553021
2-(difluoromethylsulfanyl)-N-[(1-hydroxycycloheptyl)methyl]pyridine-3-carboxamide
CID 111428733
2-(difluoromethylsulfanyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide
CID 18161411
2-(difluoromethylsulfanyl)-N-(2-phenylsulfanylethyl)pyridine-3-carboxamide
CID 78810821
N-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 86998055
2-(difluoromethylsulfanyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 18167359
2-(difluoromethylsulfanyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]pyridine-3-carboxamide
CID 18165140
2-(difluoromethylsulfanyl)-N-[[3-(phenoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 55954790

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide (CID 17429690) is 2-(difluoromethylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccccc1CN1CCCC1)c1cccnc1SC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is PKAOWZAJMKWBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3OS/c20-19(21)26-18-16(8-5-9-22-18)17(25)23-12-14-6-1-2-7-15(14)13-24-10-3-4-11-24/h1-2,5-9,19H,3-4,10-13H2,(H,23,25).
What are the key properties of 2-(difluoromethylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide?
2-(difluoromethylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 377.46 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 17429690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).