N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide

C20H23N3O3 — CID 91796727

IUPACN-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1cccc2c1NCCC2
InChIInChI=1S/C20H23N3O3/c24-20(15-7-3-5-14-6-4-11-22-19(14)15)23-16-9-12-25-13-17(16)26-18-8-1-2-10-21-18/h1-3,5,7-8,10,16-17,22H,4,6,9,11-13H2,(H,23,24)/t16-,17-/m1/s1
InChIKeyFHEZNEZFNVEIPM-IAGOWNOFSA-N
MW353.42 g/mol
LogP2.41
Rot. Bonds4

About N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide

N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide (PubChem CID 91796727) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
PubChem CID91796727
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1cccc2c1NCCC2
InChIInChI=1S/C20H23N3O3/c24-20(15-7-3-5-14-6-4-11-22-19(14)15)23-16-9-12-25-13-17(16)26-18-8-1-2-10-21-18/h1-3,5,7-8,10,16-17,22H,4,6,9,11-13H2,(H,23,24)/t16-,17-/m1/s1
InChIKeyFHEZNEZFNVEIPM-IAGOWNOFSA-N
XLogP2.41
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide with MolForge

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Related Compounds

2-[(3S,4R)-4-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)oxan-3-yl]oxyacetic acid
CID 91768212
2-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1-benzofuran-7-carboxamide
CID 91761769
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
2-methylsulfanyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,3-thiazole-4-carboxamide
CID 91772566
5-(methoxymethyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]thiophene-2-carboxamide
CID 91785982
N'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide
CID 91790643
N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-2-thiophen-2-ylacetamide
CID 91791487
3-methyl-4-oxo-N-(3-pyridin-2-yloxyoxan-4-yl)phthalazine-1-carboxamide
CID 156608868
N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide
CID 91773229
formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 163334228
N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62214906

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide (CID 91796727) is N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide is O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1cccc2c1NCCC2.
What is the InChIKey of N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The InChIKey is FHEZNEZFNVEIPM-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-20(15-7-3-5-14-6-4-11-22-19(14)15)23-16-9-12-25-13-17(16)26-18-8-1-2-10-21-18/h1-3,5,7-8,10,16-17,22H,4,6,9,11-13H2,(H,23,24)/t16-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 91796727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).