(E)-N-methyl-3-(3-quinolin-6-yl-4-pyridinyl)prop-2-enamide

C18H15N3O — CID 164612959

IUPAC(E)-N-methyl-3-(3-quinolin-6-yl-4-pyridinyl)prop-2-enamide
SMILESCNC(=O)/C=C/c1ccncc1-c1ccc2ncccc2c1
InChIInChI=1S/C18H15N3O/c1-19-18(22)7-5-13-8-10-20-12-16(13)14-4-6-17-15(11-14)3-2-9-21-17/h2-12H,1H3,(H,19,22)/b7-5+
InChIKeyYOTHYLCDLGIGCB-FNORWQNLSA-N
MW289.34 g/mol
LogP3.06
Rot. Bonds3

About (E)-N-methyl-3-(3-quinolin-6-yl-4-pyridinyl)prop-2-enamide

(E)-N-methyl-3-(3-quinolin-6-yl-4-pyridinyl)prop-2-enamide (PubChem CID 164612959) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is (E)-N-methyl-3-(3-quinolin-6-yl-4-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-(3-quinolin-6-yl-4-pyridinyl)prop-2-enamide
PubChem CID164612959
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name(E)-N-methyl-3-(3-quinolin-6-yl-4-pyridinyl)prop-2-enamide
SMILESCNC(=O)/C=C/c1ccncc1-c1ccc2ncccc2c1
InChIInChI=1S/C18H15N3O/c1-19-18(22)7-5-13-8-10-20-12-16(13)14-4-6-17-15(11-14)3-2-9-21-17/h2-12H,1H3,(H,19,22)/b7-5+
InChIKeyYOTHYLCDLGIGCB-FNORWQNLSA-N
XLogP3.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-(3-quinolin-6-yl-4-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-N-methyl-3-(3-quinolin-6-yl-4-pyridinyl)prop-2-enamide (CID 164612959) is (E)-N-methyl-3-(3-quinolin-6-yl-4-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-(3-quinolin-6-yl-4-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-(3-quinolin-6-yl-4-pyridinyl)prop-2-enamide is CNC(=O)/C=C/c1ccncc1-c1ccc2ncccc2c1.
What is the InChIKey of (E)-N-methyl-3-(3-quinolin-6-yl-4-pyridinyl)prop-2-enamide?
The InChIKey is YOTHYLCDLGIGCB-FNORWQNLSA-N. The full InChI is InChI=1S/C18H15N3O/c1-19-18(22)7-5-13-8-10-20-12-16(13)14-4-6-17-15(11-14)3-2-9-21-17/h2-12H,1H3,(H,19,22)/b7-5+.
What are the key properties of (E)-N-methyl-3-(3-quinolin-6-yl-4-pyridinyl)prop-2-enamide?
(E)-N-methyl-3-(3-quinolin-6-yl-4-pyridinyl)prop-2-enamide has a molecular weight of 289.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-(3-quinolin-6-yl-4-pyridinyl)prop-2-enamide is sourced from PubChem (CID 164612959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).