2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-(pyridin-3-ylmethoxy)acetamide

C15H15N3O4 — CID 166224612

IUPAC2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-(pyridin-3-ylmethoxy)acetamide
SMILESO=C(Cc1ccc2c(n1)OCCO2)NOCc1cccnc1
InChIInChI=1S/C15H15N3O4/c19-14(18-22-10-11-2-1-5-16-9-11)8-12-3-4-13-15(17-12)21-7-6-20-13/h1-5,9H,6-8,10H2,(H,18,19)
InChIKeySXUSGYBFRWPGPC-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.04
Rot. Bonds5

About 2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-(pyridin-3-ylmethoxy)acetamide

2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-(pyridin-3-ylmethoxy)acetamide (PubChem CID 166224612) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-(pyridin-3-ylmethoxy)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-(pyridin-3-ylmethoxy)acetamide
PubChem CID166224612
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-(pyridin-3-ylmethoxy)acetamide
SMILESO=C(Cc1ccc2c(n1)OCCO2)NOCc1cccnc1
InChIInChI=1S/C15H15N3O4/c19-14(18-22-10-11-2-1-5-16-9-11)8-12-3-4-13-15(17-12)21-7-6-20-13/h1-5,9H,6-8,10H2,(H,18,19)
InChIKeySXUSGYBFRWPGPC-UHFFFAOYSA-N
XLogP1.04
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-pyridin-3-ylacetyl)amino]oxyacetic acid
CID 63913163
N-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 154863799
3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-(pyridin-3-ylmethoxy)propanamide
CID 146081078
(3aS,6aR)-N-(pyridin-3-ylmethoxy)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxamide
CID 154866666
4-(cyclopropylmethyl)-N-(pyridin-3-ylmethoxy)piperazine-1-carboxamide
CID 91661392
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
CID 72859374
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999581
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47350006
[2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxoethyl] pyridine-3-carboxylate
CID 9414252
N-ethoxy-3-pyridin-3-ylpropanamide
CID 60717875
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51205416
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55578633

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-(pyridin-3-ylmethoxy)acetamide?
The IUPAC name of 2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-(pyridin-3-ylmethoxy)acetamide (CID 166224612) is 2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-(pyridin-3-ylmethoxy)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-(pyridin-3-ylmethoxy)acetamide?
The canonical SMILES for 2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-(pyridin-3-ylmethoxy)acetamide is O=C(Cc1ccc2c(n1)OCCO2)NOCc1cccnc1.
What is the InChIKey of 2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-(pyridin-3-ylmethoxy)acetamide?
The InChIKey is SXUSGYBFRWPGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c19-14(18-22-10-11-2-1-5-16-9-11)8-12-3-4-13-15(17-12)21-7-6-20-13/h1-5,9H,6-8,10H2,(H,18,19).
What are the key properties of 2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-(pyridin-3-ylmethoxy)acetamide?
2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-(pyridin-3-ylmethoxy)acetamide has a molecular weight of 301.30 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-(pyridin-3-ylmethoxy)acetamide is sourced from PubChem (CID 166224612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).