N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide

C14H16N4O3 — CID 91773229

IUPACN-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)c1cn[nH]c1
InChIInChI=1S/C14H16N4O3/c19-14(10-7-16-17-8-10)18-11-9-20-6-4-12(11)21-13-3-1-2-5-15-13/h1-3,5,7-8,11-12H,4,6,9H2,(H,16,17)(H,18,19)/t11-,12-/m1/s1
InChIKeyFIMLDOWBZSHPSN-VXGBXAGGSA-N
MW288.31 g/mol
LogP0.77
Rot. Bonds4

About N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide

N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 91773229) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID91773229
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)c1cn[nH]c1
InChIInChI=1S/C14H16N4O3/c19-14(10-7-16-17-8-10)18-11-9-20-6-4-12(11)21-13-3-1-2-5-15-13/h1-3,5,7-8,11-12H,4,6,9H2,(H,16,17)(H,18,19)/t11-,12-/m1/s1
InChIKeyFIMLDOWBZSHPSN-VXGBXAGGSA-N
XLogP0.77
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methyltetrazol-5-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]benzamide
CID 91771219
N-cyclopropyl-2-[[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]amino]pyridine-4-carboxamide
CID 91761162
N-[2-oxo-2-[(4-pyridin-2-yloxyoxan-3-yl)amino]ethyl]benzamide
CID 156608743
3-amino-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide
CID 91764238
1,1-di(propan-2-yl)-3-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]urea
CID 91777188
2-methylsulfanyl-N-(4-pyridin-2-yloxyoxan-3-yl)-1,3-thiazole-4-carboxamide
CID 156608294
5-(methoxymethyl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide
CID 91798306
2-(dimethylamino)-4-methyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyrimidine-5-carboxamide
CID 91791524
1-phenyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]cyclopropane-1-carboxamide
CID 91795536
2-propan-2-ylsulfonyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide
CID 91766386
3-(1H-pyrazol-4-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
CID 91790641
5-chloro-4,6-dimethyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyridine-3-carboxamide
CID 91762397

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide (CID 91773229) is N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide is O=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)c1cn[nH]c1.
What is the InChIKey of N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is FIMLDOWBZSHPSN-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H16N4O3/c19-14(10-7-16-17-8-10)18-11-9-20-6-4-12(11)21-13-3-1-2-5-15-13/h1-3,5,7-8,11-12H,4,6,9H2,(H,16,17)(H,18,19)/t11-,12-/m1/s1.
What are the key properties of N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide?
N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 91773229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).