N-[4-amino-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide

C19H18F3N5O2S — CID 146272298

IUPACN-[4-amino-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
SMILESCCSc1cc(C2(C#N)CC2)cnc1C(=O)N(C)c1c(N)cc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C19H18F3N5O2S/c1-3-30-12-6-10(18(9-23)4-5-18)8-25-14(12)17(29)27(2)15-11(24)7-13(19(20,21)22)26-16(15)28/h6-8H,3-5H2,1-2H3,(H3,24,26,28)
InChIKeyLESGGZNCANARHM-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.31
Rot. Bonds5

About N-[4-amino-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide

N-[4-amino-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide (PubChem CID 146272298) has the molecular formula C19H18F3N5O2S and a molecular weight of 437.45 g/mol. Its IUPAC name is N-[4-amino-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-amino-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
PubChem CID146272298
Molecular FormulaC19H18F3N5O2S
Molecular Weight437.45 g/mol
Exact Mass437.11
IUPAC NameN-[4-amino-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
SMILESCCSc1cc(C2(C#N)CC2)cnc1C(=O)N(C)c1c(N)cc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C19H18F3N5O2S/c1-3-30-12-6-10(18(9-23)4-5-18)8-25-14(12)17(29)27(2)15-11(24)7-13(19(20,21)22)26-16(15)28/h6-8H,3-5H2,1-2H3,(H3,24,26,28)
InChIKeyLESGGZNCANARHM-UHFFFAOYSA-N
XLogP3.31
TPSA115.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[3,3-Difluoro-3-(4-fluorophenyl)-propyl]sulfanyl]-N-(3-methyl-butyl)-pyridine-2-carboxylic acid amide
CID 76287406
4-[3,3-difluoro-3-(4-fluorophenyl)propyl]sulfanyl-N-(3-methylbutyl)pyridine-2-carboxamide
CID 90189451
3-ethylsulfanyl-N-[1-methyl-2-(methylamino)-6-oxo-5-(trifluoromethyl)pyridin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 118865151
3-ethylsulfanyl-N-[1-methyl-2-(methylamino)-6-oxo-5-(trifluoromethyl)pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 118900966
5-(1-cyanocyclopropyl)-3-ethylsulfonyl-N-[3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-ylidene]pyridine-2-carboxamide
CID 121390570
5-(1-cyanocyclopropyl)-3-ethylsulfonyl-N-[2-(methylamino)-5-(trifluoromethyl)pyridin-3-yl]pyridine-2-carboxamide
CID 121414813
5-cyclopropyl-3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-2-carboxamide
CID 122462160
5-cyclopropyl-3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 122462271
5-cyclopropyl-3-ethylsulfanyl-N-[2-sulfanylidene-5-(trifluoromethyl)-1H-pyridin-3-yl]pyridine-2-carboxamide
CID 122462273
N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)pyridin-4-yl]-3-ethylsulfonyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 129164637
N-[4-amino-1-cyclopropyl-2-oxo-6-(trifluoromethyl)pyridin-3-yl]-3-ethylsulfonyl-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 129164638
5-cyclopropyl-3-ethylsulfanyl-N-[3-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 130382500

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[4-amino-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide (CID 146272298) is N-[4-amino-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-amino-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[4-amino-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide is CCSc1cc(C2(C#N)CC2)cnc1C(=O)N(C)c1c(N)cc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[4-amino-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
The InChIKey is LESGGZNCANARHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2S/c1-3-30-12-6-10(18(9-23)4-5-18)8-25-14(12)17(29)27(2)15-11(24)7-13(19(20,21)22)26-16(15)28/h6-8H,3-5H2,1-2H3,(H3,24,26,28).
What are the key properties of N-[4-amino-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
N-[4-amino-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide has a molecular weight of 437.45 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 146272298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).