3-(4-methylpyrazol-1-yl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide

C18H24N4O3 — CID 91783746

IUPAC3-(4-methylpyrazol-1-yl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide
SMILESCc1cnn(CCC(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)c1
InChIInChI=1S/C18H24N4O3/c1-14-10-20-22(11-14)8-5-18(23)21-16-13-24-9-6-17(16)25-12-15-4-2-3-7-19-15/h2-4,7,10-11,16-17H,5-6,8-9,12-13H2,1H3,(H,21,23)/t16-,17-/m1/s1
InChIKeyQBNYXHBSHBMBKS-IAGOWNOFSA-N
MW344.42 g/mol
LogP1.47
Rot. Bonds7

About 3-(4-methylpyrazol-1-yl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide

3-(4-methylpyrazol-1-yl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide (PubChem CID 91783746) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-(4-methylpyrazol-1-yl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide.

Molecular Properties

Compound Name3-(4-methylpyrazol-1-yl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide
PubChem CID91783746
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-(4-methylpyrazol-1-yl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide
SMILESCc1cnn(CCC(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)c1
InChIInChI=1S/C18H24N4O3/c1-14-10-20-22(11-14)8-5-18(23)21-16-13-24-9-6-17(16)25-12-15-4-2-3-7-19-15/h2-4,7,10-11,16-17H,5-6,8-9,12-13H2,1H3,(H,21,23)/t16-,17-/m1/s1
InChIKeyQBNYXHBSHBMBKS-IAGOWNOFSA-N
XLogP1.47
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrazol-1-yl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide?
The IUPAC name of 3-(4-methylpyrazol-1-yl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide (CID 91783746) is 3-(4-methylpyrazol-1-yl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide.
What is the SMILES notation for 3-(4-methylpyrazol-1-yl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide?
The canonical SMILES for 3-(4-methylpyrazol-1-yl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide is Cc1cnn(CCC(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)c1.
What is the InChIKey of 3-(4-methylpyrazol-1-yl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide?
The InChIKey is QBNYXHBSHBMBKS-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-14-10-20-22(11-14)8-5-18(23)21-16-13-24-9-6-17(16)25-12-15-4-2-3-7-19-15/h2-4,7,10-11,16-17H,5-6,8-9,12-13H2,1H3,(H,21,23)/t16-,17-/m1/s1.
What are the key properties of 3-(4-methylpyrazol-1-yl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide?
3-(4-methylpyrazol-1-yl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide has a molecular weight of 344.42 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyrazol-1-yl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide is sourced from PubChem (CID 91783746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).