3-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyridine-4-carboxamide

C12H12FN5O2 — CID 120963493

IUPAC3-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1COC[C@H]1n1ccnn1)c1ccncc1F
InChIInChI=1S/C12H12FN5O2/c13-9-5-14-2-1-8(9)12(19)16-10-6-20-7-11(10)18-4-3-15-17-18/h1-5,10-11H,6-7H2,(H,16,19)/t10-,11+/m0/s1
InChIKeyKOGQJQIIHXBQRJ-WDEREUQCSA-N
MW277.26 g/mol
LogP0.18
Rot. Bonds3

About 3-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyridine-4-carboxamide

3-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyridine-4-carboxamide (PubChem CID 120963493) has the molecular formula C12H12FN5O2 and a molecular weight of 277.26 g/mol. Its IUPAC name is 3-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyridine-4-carboxamide
PubChem CID120963493
Molecular FormulaC12H12FN5O2
Molecular Weight277.26 g/mol
Exact Mass277.10
IUPAC Name3-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1COC[C@H]1n1ccnn1)c1ccncc1F
InChIInChI=1S/C12H12FN5O2/c13-9-5-14-2-1-8(9)12(19)16-10-6-20-7-11(10)18-4-3-15-17-18/h1-5,10-11H,6-7H2,(H,16,19)/t10-,11+/m0/s1
InChIKeyKOGQJQIIHXBQRJ-WDEREUQCSA-N
XLogP0.18
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyridine-4-carboxamide (CID 120963493) is 3-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyridine-4-carboxamide is O=C(N[C@H]1COC[C@H]1n1ccnn1)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyridine-4-carboxamide?
The InChIKey is KOGQJQIIHXBQRJ-WDEREUQCSA-N. The full InChI is InChI=1S/C12H12FN5O2/c13-9-5-14-2-1-8(9)12(19)16-10-6-20-7-11(10)18-4-3-15-17-18/h1-5,10-11H,6-7H2,(H,16,19)/t10-,11+/m0/s1.
What are the key properties of 3-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyridine-4-carboxamide?
3-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyridine-4-carboxamide has a molecular weight of 277.26 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 120963493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).