3-(1H-pyrazol-4-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide

C16H20N4O3 — CID 91790641

IUPAC3-(1H-pyrazol-4-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
SMILESO=C(CCc1cn[nH]c1)N[C@@H]1CCOC[C@H]1Oc1ccccn1
InChIInChI=1S/C16H20N4O3/c21-15(5-4-12-9-18-19-10-12)20-13-6-8-22-11-14(13)23-16-3-1-2-7-17-16/h1-3,7,9-10,13-14H,4-6,8,11H2,(H,18,19)(H,20,21)/t13-,14-/m1/s1
InChIKeyCOSXBLOPFHQOSP-ZIAGYGMSSA-N
MW316.36 g/mol
LogP1.09
Rot. Bonds6

About 3-(1H-pyrazol-4-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide

3-(1H-pyrazol-4-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide (PubChem CID 91790641) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
PubChem CID91790641
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name3-(1H-pyrazol-4-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
SMILESO=C(CCc1cn[nH]c1)N[C@@H]1CCOC[C@H]1Oc1ccccn1
InChIInChI=1S/C16H20N4O3/c21-15(5-4-12-9-18-19-10-12)20-13-6-8-22-11-14(13)23-16-3-1-2-7-17-16/h1-3,7,9-10,13-14H,4-6,8,11H2,(H,18,19)(H,20,21)/t13-,14-/m1/s1
InChIKeyCOSXBLOPFHQOSP-ZIAGYGMSSA-N
XLogP1.09
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide
CID 91790643
3-(1,2-oxazolidin-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
CID 91772511
N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-2-thiophen-2-ylacetamide
CID 91791487
3-(oxazinan-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
CID 91787905
N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide
CID 91773229
2-[methyl(pyridin-4-ylmethyl)amino]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide
CID 91791415
5-cyclohexyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1H-pyrazole-4-carboxamide
CID 91796853
5-(2-fluorophenyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1H-pyrazole-4-carboxamide
CID 91771955
3-(methanesulfonamido)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide
CID 91792493
1-(pyrazol-1-ylmethyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]cyclopropane-1-carboxamide
CID 91770277
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide
CID 91796712
N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-4-(1H-pyrazol-4-yl)butanamide
CID 133267954

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide?
The IUPAC name of 3-(1H-pyrazol-4-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide (CID 91790641) is 3-(1H-pyrazol-4-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide?
The canonical SMILES for 3-(1H-pyrazol-4-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide is O=C(CCc1cn[nH]c1)N[C@@H]1CCOC[C@H]1Oc1ccccn1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide?
The InChIKey is COSXBLOPFHQOSP-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-15(5-4-12-9-18-19-10-12)20-13-6-8-22-11-14(13)23-16-3-1-2-7-17-16/h1-3,7,9-10,13-14H,4-6,8,11H2,(H,18,19)(H,20,21)/t13-,14-/m1/s1.
What are the key properties of 3-(1H-pyrazol-4-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide?
3-(1H-pyrazol-4-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide has a molecular weight of 316.36 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide is sourced from PubChem (CID 91790641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).