N-(3-chloro-6-oxo-1H-pyridin-2-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide

C19H17ClF4N6O5 — CID 154642111

IUPACN-(3-chloro-6-oxo-1H-pyridin-2-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
SMILESCCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3[nH]c(=O)ccc3Cl)cc2F)c1=O
InChIInChI=1S/C19H17ClF4N6O5/c1-3-29-12(7-31)28-30(18(29)34)15-11(21)6-9(17(27-15)35-8(2)19(22,23)24)16(33)26-14-10(20)4-5-13(32)25-14/h4-6,8,31H,3,7H2,1-2H3,(H2,25,26,32,33)/t8-/m0/s1
InChIKeyCFXBUFODCHZFIQ-QMMMGPOBSA-N
MW520.83 g/mol
LogP2.00
Rot. Bonds7

About N-(3-chloro-6-oxo-1H-pyridin-2-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide

N-(3-chloro-6-oxo-1H-pyridin-2-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide (PubChem CID 154642111) has the molecular formula C19H17ClF4N6O5 and a molecular weight of 520.83 g/mol. Its IUPAC name is N-(3-chloro-6-oxo-1H-pyridin-2-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-6-oxo-1H-pyridin-2-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
PubChem CID154642111
Molecular FormulaC19H17ClF4N6O5
Molecular Weight520.83 g/mol
Exact Mass520.09
IUPAC NameN-(3-chloro-6-oxo-1H-pyridin-2-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
SMILESCCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3[nH]c(=O)ccc3Cl)cc2F)c1=O
InChIInChI=1S/C19H17ClF4N6O5/c1-3-29-12(7-31)28-30(18(29)34)15-11(21)6-9(17(27-15)35-8(2)19(22,23)24)16(33)26-14-10(20)4-5-13(32)25-14/h4-6,8,31H,3,7H2,1-2H3,(H2,25,26,32,33)/t8-/m0/s1
InChIKeyCFXBUFODCHZFIQ-QMMMGPOBSA-N
XLogP2.00
TPSA144.13 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.83
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-(3-chloro-6-oxo-1H-pyridin-2-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-6-oxo-1H-pyridin-2-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-6-oxo-1H-pyridin-2-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide (CID 154642111) is N-(3-chloro-6-oxo-1H-pyridin-2-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-6-oxo-1H-pyridin-2-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-6-oxo-1H-pyridin-2-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide is CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3[nH]c(=O)ccc3Cl)cc2F)c1=O.
What is the InChIKey of N-(3-chloro-6-oxo-1H-pyridin-2-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide?
The InChIKey is CFXBUFODCHZFIQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C19H17ClF4N6O5/c1-3-29-12(7-31)28-30(18(29)34)15-11(21)6-9(17(27-15)35-8(2)19(22,23)24)16(33)26-14-10(20)4-5-13(32)25-14/h4-6,8,31H,3,7H2,1-2H3,(H2,25,26,32,33)/t8-/m0/s1.
What are the key properties of N-(3-chloro-6-oxo-1H-pyridin-2-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide?
N-(3-chloro-6-oxo-1H-pyridin-2-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide has a molecular weight of 520.83 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-6-oxo-1H-pyridin-2-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 154642111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).