N-[4-amino-2-hydroxy-6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide

C19H20F3N5O2S — CID 134466775

IUPACN-[4-amino-2-hydroxy-6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
SMILESCCSc1cc(C2(C#N)CC2)cnc1C(=O)N(C)C1=C(N)C=C(C(F)(F)F)NC1O
InChIInChI=1S/C19H20F3N5O2S/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/h6-8,16,26,28H,3-5,24H2,1-2H3
InChIKeyOBXSPYXKNXLQHS-UHFFFAOYSA-N
MW439.46 g/mol
LogP2.36
Rot. Bonds5

About N-[4-amino-2-hydroxy-6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide

N-[4-amino-2-hydroxy-6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide (PubChem CID 134466775) has the molecular formula C19H20F3N5O2S and a molecular weight of 439.46 g/mol. Its IUPAC name is N-[4-amino-2-hydroxy-6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-amino-2-hydroxy-6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
PubChem CID134466775
Molecular FormulaC19H20F3N5O2S
Molecular Weight439.46 g/mol
Exact Mass439.13
IUPAC NameN-[4-amino-2-hydroxy-6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
SMILESCCSc1cc(C2(C#N)CC2)cnc1C(=O)N(C)C1=C(N)C=C(C(F)(F)F)NC1O
InChIInChI=1S/C19H20F3N5O2S/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/h6-8,16,26,28H,3-5,24H2,1-2H3
InChIKeyOBXSPYXKNXLQHS-UHFFFAOYSA-N
XLogP2.36
TPSA115.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-hydroxy-6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[4-amino-2-hydroxy-6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide (CID 134466775) is N-[4-amino-2-hydroxy-6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-amino-2-hydroxy-6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[4-amino-2-hydroxy-6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide is CCSc1cc(C2(C#N)CC2)cnc1C(=O)N(C)C1=C(N)C=C(C(F)(F)F)NC1O.
What is the InChIKey of N-[4-amino-2-hydroxy-6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
The InChIKey is OBXSPYXKNXLQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O2S/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/h6-8,16,26,28H,3-5,24H2,1-2H3.
What are the key properties of N-[4-amino-2-hydroxy-6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
N-[4-amino-2-hydroxy-6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide has a molecular weight of 439.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-hydroxy-6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-5-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 134466775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).