N-[4-[(2R,4R,5S,6R)-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide

C28H31FN4O5 — CID 56600947

IUPACN-[4-[(2R,4R,5S,6R)-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3[C@H]3C[C@@H](O)[C@](C)(O)[C@@H](C)O3)n2)c1
InChIInChI=1S/C28H31FN4O5/c1-15(2)31-26(35)17-8-9-20(29)19(12-17)21-6-5-7-22(32-21)27(36)33-23-14-30-11-10-18(23)24-13-25(34)28(4,37)16(3)38-24/h5-12,14-16,24-25,34,37H,13H2,1-4H3,(H,31,35)(H,33,36)/t16-,24-,25-,28-/m1/s1
InChIKeyFZLVUAMQFGEAHS-OHZWYQMFSA-N
MW522.58 g/mol
LogP3.63
Rot. Bonds6

About N-[4-[(2R,4R,5S,6R)-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide

N-[4-[(2R,4R,5S,6R)-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide (PubChem CID 56600947) has the molecular formula C28H31FN4O5 and a molecular weight of 522.58 g/mol. Its IUPAC name is N-[4-[(2R,4R,5S,6R)-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R,4R,5S,6R)-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide
PubChem CID56600947
Molecular FormulaC28H31FN4O5
Molecular Weight522.58 g/mol
Exact Mass522.23
IUPAC NameN-[4-[(2R,4R,5S,6R)-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3[C@H]3C[C@@H](O)[C@](C)(O)[C@@H](C)O3)n2)c1
InChIInChI=1S/C28H31FN4O5/c1-15(2)31-26(35)17-8-9-20(29)19(12-17)21-6-5-7-22(32-21)27(36)33-23-14-30-11-10-18(23)24-13-25(34)28(4,37)16(3)38-24/h5-12,14-16,24-25,34,37H,13H2,1-4H3,(H,31,35)(H,33,36)/t16-,24-,25-,28-/m1/s1
InChIKeyFZLVUAMQFGEAHS-OHZWYQMFSA-N
XLogP3.63
TPSA133.67 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.58
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[4-[(2R,4R,5S,6R)-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,4R,5S,6R)-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[(2R,4R,5S,6R)-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide (CID 56600947) is N-[4-[(2R,4R,5S,6R)-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(2R,4R,5S,6R)-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(2R,4R,5S,6R)-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide is CC(C)NC(=O)c1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3[C@H]3C[C@@H](O)[C@](C)(O)[C@@H](C)O3)n2)c1.
What is the InChIKey of N-[4-[(2R,4R,5S,6R)-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide?
The InChIKey is FZLVUAMQFGEAHS-OHZWYQMFSA-N. The full InChI is InChI=1S/C28H31FN4O5/c1-15(2)31-26(35)17-8-9-20(29)19(12-17)21-6-5-7-22(32-21)27(36)33-23-14-30-11-10-18(23)24-13-25(34)28(4,37)16(3)38-24/h5-12,14-16,24-25,34,37H,13H2,1-4H3,(H,31,35)(H,33,36)/t16-,24-,25-,28-/m1/s1.
What are the key properties of N-[4-[(2R,4R,5S,6R)-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide?
N-[4-[(2R,4R,5S,6R)-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide has a molecular weight of 522.58 g/mol, XLogP of 3.63, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,4R,5S,6R)-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 56600947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).