N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(3S,5S)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide

C17H18FN3O3 — CID 155540022

IUPACN-(5-fluoro-2-pyridinyl)-6-methyl-4-[(3S,5S)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide
SMILESCc1cc(O[C@@H]2CO[C@@H](C)C2)cc(C(=O)Nc2ccc(F)cn2)n1
InChIInChI=1S/C17H18FN3O3/c1-10-5-13(24-14-6-11(2)23-9-14)7-15(20-10)17(22)21-16-4-3-12(18)8-19-16/h3-5,7-8,11,14H,6,9H2,1-2H3,(H,19,21,22)/t11-,14-/m0/s1
InChIKeyVALFGZYIVIEKLS-FZMZJTMJSA-N
MW331.35 g/mol
LogP2.73
Rot. Bonds4

About N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(3S,5S)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide

N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(3S,5S)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide (PubChem CID 155540022) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(3S,5S)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-6-methyl-4-[(3S,5S)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide
PubChem CID155540022
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC NameN-(5-fluoro-2-pyridinyl)-6-methyl-4-[(3S,5S)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide
SMILESCc1cc(O[C@@H]2CO[C@@H](C)C2)cc(C(=O)Nc2ccc(F)cn2)n1
InChIInChI=1S/C17H18FN3O3/c1-10-5-13(24-14-6-11(2)23-9-14)7-15(20-10)17(22)21-16-4-3-12(18)8-19-16/h3-5,7-8,11,14H,6,9H2,1-2H3,(H,19,21,22)/t11-,14-/m0/s1
InChIKeyVALFGZYIVIEKLS-FZMZJTMJSA-N
XLogP2.73
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(3S,5S)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(3S,5S)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide (CID 155540022) is N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(3S,5S)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(3S,5S)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(3S,5S)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide is Cc1cc(O[C@@H]2CO[C@@H](C)C2)cc(C(=O)Nc2ccc(F)cn2)n1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(3S,5S)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide?
The InChIKey is VALFGZYIVIEKLS-FZMZJTMJSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-10-5-13(24-14-6-11(2)23-9-14)7-15(20-10)17(22)21-16-4-3-12(18)8-19-16/h3-5,7-8,11,14H,6,9H2,1-2H3,(H,19,21,22)/t11-,14-/m0/s1.
What are the key properties of N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(3S,5S)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide?
N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(3S,5S)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(3S,5S)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 155540022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).