6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide

C25H24F3N3O4 — CID 56600143

IUPAC6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
SMILESCC[C@]1(O)[C@H](C)O[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]1O
InChIInChI=1S/C25H24F3N3O4/c1-3-25(34)13(2)35-20(11-21(25)32)14-9-10-29-12-19(14)31-24(33)18-8-7-17(28)23(30-18)22-15(26)5-4-6-16(22)27/h4-10,12-13,20-21,32,34H,3,11H2,1-2H3,(H,31,33)/t13-,20-,21-,25-/m0/s1
InChIKeyYGDAFAOBFZYAQD-YQWYTTOOSA-N
MW487.48 g/mol
LogP4.17
Rot. Bonds5

About 6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide

6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide (PubChem CID 56600143) has the molecular formula C25H24F3N3O4 and a molecular weight of 487.48 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
PubChem CID56600143
Molecular FormulaC25H24F3N3O4
Molecular Weight487.48 g/mol
Exact Mass487.17
IUPAC Name6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
SMILESCC[C@]1(O)[C@H](C)O[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]1O
InChIInChI=1S/C25H24F3N3O4/c1-3-25(34)13(2)35-20(11-21(25)32)14-9-10-29-12-19(14)31-24(33)18-8-7-17(28)23(30-18)22-15(26)5-4-6-16(22)27/h4-10,12-13,20-21,32,34H,3,11H2,1-2H3,(H,31,33)/t13-,20-,21-,25-/m0/s1
InChIKeyYGDAFAOBFZYAQD-YQWYTTOOSA-N
XLogP4.17
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of 6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide (CID 56600143) is 6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for 6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for 6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide is CC[C@]1(O)[C@H](C)O[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]1O.
What is the InChIKey of 6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is YGDAFAOBFZYAQD-YQWYTTOOSA-N. The full InChI is InChI=1S/C25H24F3N3O4/c1-3-25(34)13(2)35-20(11-21(25)32)14-9-10-29-12-19(14)31-24(33)18-8-7-17(28)23(30-18)22-15(26)5-4-6-16(22)27/h4-10,12-13,20-21,32,34H,3,11H2,1-2H3,(H,31,33)/t13-,20-,21-,25-/m0/s1.
What are the key properties of 6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 487.48 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 56600143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).