2-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)but-2-enamide

C15H15N3O2 — CID 123418622

IUPAC2-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)but-2-enamide
SMILESCC=C(C)C(=O)Nc1cccc(Oc2cccnc2)n1
InChIInChI=1S/C15H15N3O2/c1-3-11(2)15(19)18-13-7-4-8-14(17-13)20-12-6-5-9-16-10-12/h3-10H,1-2H3,(H,17,18,19)
InChIKeySEDKSWGXKGRVRK-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.17
Rot. Bonds4

About 2-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)but-2-enamide

2-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)but-2-enamide (PubChem CID 123418622) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)but-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)but-2-enamide
PubChem CID123418622
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)but-2-enamide
SMILESCC=C(C)C(=O)Nc1cccc(Oc2cccnc2)n1
InChIInChI=1S/C15H15N3O2/c1-3-11(2)15(19)18-13-7-4-8-14(17-13)20-12-6-5-9-16-10-12/h3-10H,1-2H3,(H,17,18,19)
InChIKeySEDKSWGXKGRVRK-UHFFFAOYSA-N
XLogP3.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]but-2-enamide
CID 123421732
6-pyridin-3-yloxypyridine-2-carbothioamide
CID 64594143
3-ethynyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide;bis(3-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)benzamide);3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide
CID 123844898
(6-acetamido-2-pyridinyl) acetate
CID 14208887
1-[(3S)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95825262
1-[(3R)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95825263
1-(1-hydroxy-2-methylpropan-2-yl)-3-(6-phenoxy-2-pyridinyl)urea
CID 167851183
1-(4-pyridin-3-yloxyphenyl)ethanone
CID 3016094
N-methyl-6-phenoxypyridin-2-amine
CID 58106895
2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide;hydrochloride
CID 70486559
2-methyl-6-pyridin-3-yloxypyrazine
CID 154575340
(4-methoxyphenyl) N-(4-pyridin-3-yloxyphenyl)carbamate
CID 110188525

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)but-2-enamide?
The IUPAC name of 2-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)but-2-enamide (CID 123418622) is 2-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)but-2-enamide.
What is the SMILES notation for 2-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)but-2-enamide?
The canonical SMILES for 2-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)but-2-enamide is CC=C(C)C(=O)Nc1cccc(Oc2cccnc2)n1.
What is the InChIKey of 2-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)but-2-enamide?
The InChIKey is SEDKSWGXKGRVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-3-11(2)15(19)18-13-7-4-8-14(17-13)20-12-6-5-9-16-10-12/h3-10H,1-2H3,(H,17,18,19).
What are the key properties of 2-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)but-2-enamide?
2-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)but-2-enamide has a molecular weight of 269.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)but-2-enamide is sourced from PubChem (CID 123418622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).