N-[2-(3-hydroxyoxan-3-yl)ethyl]-3-pyridin-2-yloxybenzamide

C19H22N2O4 — CID 166248975

IUPACN-[2-(3-hydroxyoxan-3-yl)ethyl]-3-pyridin-2-yloxybenzamide
SMILESO=C(NCCC1(O)CCCOC1)c1cccc(Oc2ccccn2)c1
InChIInChI=1S/C19H22N2O4/c22-18(21-11-9-19(23)8-4-12-24-14-19)15-5-3-6-16(13-15)25-17-7-1-2-10-20-17/h1-3,5-7,10,13,23H,4,8-9,11-12,14H2,(H,21,22)
InChIKeyIRQOPOPMALGVPV-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.54
Rot. Bonds6

About N-[2-(3-hydroxyoxan-3-yl)ethyl]-3-pyridin-2-yloxybenzamide

N-[2-(3-hydroxyoxan-3-yl)ethyl]-3-pyridin-2-yloxybenzamide (PubChem CID 166248975) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is N-[2-(3-hydroxyoxan-3-yl)ethyl]-3-pyridin-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyoxan-3-yl)ethyl]-3-pyridin-2-yloxybenzamide
PubChem CID166248975
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC NameN-[2-(3-hydroxyoxan-3-yl)ethyl]-3-pyridin-2-yloxybenzamide
SMILESO=C(NCCC1(O)CCCOC1)c1cccc(Oc2ccccn2)c1
InChIInChI=1S/C19H22N2O4/c22-18(21-11-9-19(23)8-4-12-24-14-19)15-5-3-6-16(13-15)25-17-7-1-2-10-20-17/h1-3,5-7,10,13,23H,4,8-9,11-12,14H2,(H,21,22)
InChIKeyIRQOPOPMALGVPV-UHFFFAOYSA-N
XLogP2.54
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-hexyl-3-pyridin-2-yloxybenzamide
CID 90596510
N-octyl-3-pyridin-2-yloxybenzamide
CID 90596511
N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yloxybenzamide
CID 71809890
N-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yloxybenzamide
CID 90596546
3-pyridin-2-yloxy-N-quinolin-8-ylbenzamide
CID 71809896
N-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-yloxybenzamide
CID 111433205
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-pyridin-2-yloxybenzamide
CID 122162985
3-pyridin-2-yloxy-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]benzamide
CID 90633137
N-(2,5-dimethoxyphenyl)-3-pyridin-2-yloxybenzamide
CID 90596489
N-[2-(ethylamino)ethyl]-3-pyrazin-2-yloxybenzamide
CID 119506992
3-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359279
N-[(1-hydroxycyclobutyl)methyl]-6-phenoxypyridine-3-carboxamide
CID 111539349

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyoxan-3-yl)ethyl]-3-pyridin-2-yloxybenzamide?
The IUPAC name of N-[2-(3-hydroxyoxan-3-yl)ethyl]-3-pyridin-2-yloxybenzamide (CID 166248975) is N-[2-(3-hydroxyoxan-3-yl)ethyl]-3-pyridin-2-yloxybenzamide.
What is the SMILES notation for N-[2-(3-hydroxyoxan-3-yl)ethyl]-3-pyridin-2-yloxybenzamide?
The canonical SMILES for N-[2-(3-hydroxyoxan-3-yl)ethyl]-3-pyridin-2-yloxybenzamide is O=C(NCCC1(O)CCCOC1)c1cccc(Oc2ccccn2)c1.
What is the InChIKey of N-[2-(3-hydroxyoxan-3-yl)ethyl]-3-pyridin-2-yloxybenzamide?
The InChIKey is IRQOPOPMALGVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-18(21-11-9-19(23)8-4-12-24-14-19)15-5-3-6-16(13-15)25-17-7-1-2-10-20-17/h1-3,5-7,10,13,23H,4,8-9,11-12,14H2,(H,21,22).
What are the key properties of N-[2-(3-hydroxyoxan-3-yl)ethyl]-3-pyridin-2-yloxybenzamide?
N-[2-(3-hydroxyoxan-3-yl)ethyl]-3-pyridin-2-yloxybenzamide has a molecular weight of 342.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyoxan-3-yl)ethyl]-3-pyridin-2-yloxybenzamide is sourced from PubChem (CID 166248975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).