N-[5-(1,1-difluoroethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide

C16H17F2N3OS — CID 118216707

IUPACN-[5-(1,1-difluoroethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
SMILESCCSc1cccnc1C(=O)N(C)c1ccc(C(C)(F)F)cn1
InChIInChI=1S/C16H17F2N3OS/c1-4-23-12-6-5-9-19-14(12)15(22)21(3)13-8-7-11(10-20-13)16(2,17)18/h5-10H,4H2,1-3H3
InChIKeyDRZHSWVDOUUZCW-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.98
Rot. Bonds5

About N-[5-(1,1-difluoroethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide

N-[5-(1,1-difluoroethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide (PubChem CID 118216707) has the molecular formula C16H17F2N3OS and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[5-(1,1-difluoroethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1,1-difluoroethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
PubChem CID118216707
Molecular FormulaC16H17F2N3OS
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-[5-(1,1-difluoroethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
SMILESCCSc1cccnc1C(=O)N(C)c1ccc(C(C)(F)F)cn1
InChIInChI=1S/C16H17F2N3OS/c1-4-23-12-6-5-9-19-14(12)15(22)21(3)13-8-7-11(10-20-13)16(2,17)18/h5-10H,4H2,1-3H3
InChIKeyDRZHSWVDOUUZCW-UHFFFAOYSA-N
XLogP3.98
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-difluoroethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[5-(1,1-difluoroethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide (CID 118216707) is N-[5-(1,1-difluoroethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[5-(1,1-difluoroethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[5-(1,1-difluoroethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide is CCSc1cccnc1C(=O)N(C)c1ccc(C(C)(F)F)cn1.
What is the InChIKey of N-[5-(1,1-difluoroethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
The InChIKey is DRZHSWVDOUUZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3OS/c1-4-23-12-6-5-9-19-14(12)15(22)21(3)13-8-7-11(10-20-13)16(2,17)18/h5-10H,4H2,1-3H3.
What are the key properties of N-[5-(1,1-difluoroethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
N-[5-(1,1-difluoroethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-difluoroethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 118216707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).