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

C24H23F3N4O4 — CID 67208312

IUPAC3-amino-6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-6-ethyl-4,5-dihydroxyoxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
SMILESCC[C@@H]1O[C@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)c(F)cc2N)C[C@H](O)[C@H]1O
InChIInChI=1S/C24H23F3N4O4/c1-2-18-23(33)17(32)9-19(35-18)11-6-7-29-10-16(11)30-24(34)22-15(28)8-14(27)21(31-22)20-12(25)4-3-5-13(20)26/h3-8,10,17-19,23,32-33H,2,9,28H2,1H3,(H,30,34)/t17-,18-,19-,23+/m0/s1
InChIKeyDGFAFVVMCSZJTG-KEXUJGGDSA-N
MW488.47 g/mol
LogP3.36
Rot. Bonds5

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

3-amino-6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-6-ethyl-4,5-dihydroxyoxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide (PubChem CID 67208312) has the molecular formula C24H23F3N4O4 and a molecular weight of 488.47 g/mol. Its IUPAC name is 3-amino-6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-6-ethyl-4,5-dihydroxyoxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-6-ethyl-4,5-dihydroxyoxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
PubChem CID67208312
Molecular FormulaC24H23F3N4O4
Molecular Weight488.47 g/mol
Exact Mass488.17
IUPAC Name3-amino-6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-6-ethyl-4,5-dihydroxyoxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
SMILESCC[C@@H]1O[C@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)c(F)cc2N)C[C@H](O)[C@H]1O
InChIInChI=1S/C24H23F3N4O4/c1-2-18-23(33)17(32)9-19(35-18)11-6-7-29-10-16(11)30-24(34)22-15(28)8-14(27)21(31-22)20-12(25)4-3-5-13(20)26/h3-8,10,17-19,23,32-33H,2,9,28H2,1H3,(H,30,34)/t17-,18-,19-,23+/m0/s1
InChIKeyDGFAFVVMCSZJTG-KEXUJGGDSA-N
XLogP3.36
TPSA130.59 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-(2,6-difluorophenyl)-N-[4-(6-ethyl-4,5-dihydroxyoxan-2-yl)-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 77241059
5-amino-N-[4-[(2R,4R,5S,6S)-6-(chloromethyl)-4,5-dihydroxyoxan-2-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 67208213
3-amino-N-[4-[(1R,5R)-5-amino-3-methylcyclohex-3-en-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 73213347
5-cyano-N-[4-[6-(cyanomethyl)-4,5-dihydroxyoxan-2-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 77158772
N-[4-(6-carbamoyl-4,5-dihydroxyoxan-2-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 77241038
N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 56600948
3-amino-N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 70655198
3-amino-N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 70655194
2-[4-[(2R,4R,5S,6R)-4-amino-6-ethyl-5-hydroxyoxan-2-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone
CID 160561330
3-amino-N-(4-cyclohexyl-3-pyridinyl)-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide;methanol
CID 143951656
6-(2,6-difluorophenyl)-N-[4-(5-ethyl-4-hydroxy-7-oxo-3,4,4a,5,6,8,9,9a-octahydro-2H-cyclohepta[b]pyran-2-yl)-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 123245002
N-[4-(5-ethyl-4-hydroxy-6-methyloxan-2-yl)-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 123260090

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-6-ethyl-4,5-dihydroxyoxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-6-ethyl-4,5-dihydroxyoxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide (CID 67208312) is 3-amino-6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-6-ethyl-4,5-dihydroxyoxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-6-ethyl-4,5-dihydroxyoxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-6-ethyl-4,5-dihydroxyoxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide is CC[C@@H]1O[C@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)c(F)cc2N)C[C@H](O)[C@H]1O.
What is the InChIKey of 3-amino-6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-6-ethyl-4,5-dihydroxyoxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is DGFAFVVMCSZJTG-KEXUJGGDSA-N. The full InChI is InChI=1S/C24H23F3N4O4/c1-2-18-23(33)17(32)9-19(35-18)11-6-7-29-10-16(11)30-24(34)22-15(28)8-14(27)21(31-22)20-12(25)4-3-5-13(20)26/h3-8,10,17-19,23,32-33H,2,9,28H2,1H3,(H,30,34)/t17-,18-,19-,23+/m0/s1.
What are the key properties of 3-amino-6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-6-ethyl-4,5-dihydroxyoxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
3-amino-6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-6-ethyl-4,5-dihydroxyoxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 488.47 g/mol, XLogP of 3.36, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-6-ethyl-4,5-dihydroxyoxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 67208312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).