(E)-N-methyl-3-[3-(1-methylindazol-5-yl)-4-pyridinyl]prop-2-enamide

C17H16N4O — CID 164612044

IUPAC(E)-N-methyl-3-[3-(1-methylindazol-5-yl)-4-pyridinyl]prop-2-enamide
SMILESCNC(=O)/C=C/c1ccncc1-c1ccc2c(cnn2C)c1
InChIInChI=1S/C17H16N4O/c1-18-17(22)6-4-12-7-8-19-11-15(12)13-3-5-16-14(9-13)10-20-21(16)2/h3-11H,1-2H3,(H,18,22)/b6-4+
InChIKeyDUHRDLUODNGVQE-GQCTYLIASA-N
MW292.34 g/mol
LogP2.39
Rot. Bonds3

About (E)-N-methyl-3-[3-(1-methylindazol-5-yl)-4-pyridinyl]prop-2-enamide

(E)-N-methyl-3-[3-(1-methylindazol-5-yl)-4-pyridinyl]prop-2-enamide (PubChem CID 164612044) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is (E)-N-methyl-3-[3-(1-methylindazol-5-yl)-4-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-[3-(1-methylindazol-5-yl)-4-pyridinyl]prop-2-enamide
PubChem CID164612044
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name(E)-N-methyl-3-[3-(1-methylindazol-5-yl)-4-pyridinyl]prop-2-enamide
SMILESCNC(=O)/C=C/c1ccncc1-c1ccc2c(cnn2C)c1
InChIInChI=1S/C17H16N4O/c1-18-17(22)6-4-12-7-8-19-11-15(12)13-3-5-16-14(9-13)10-20-21(16)2/h3-11H,1-2H3,(H,18,22)/b6-4+
InChIKeyDUHRDLUODNGVQE-GQCTYLIASA-N
XLogP2.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.39
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

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FR-194921
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1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-pyrazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-[3-(1-methylindazol-5-yl)-4-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-methyl-3-[3-(1-methylindazol-5-yl)-4-pyridinyl]prop-2-enamide (CID 164612044) is (E)-N-methyl-3-[3-(1-methylindazol-5-yl)-4-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-[3-(1-methylindazol-5-yl)-4-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-[3-(1-methylindazol-5-yl)-4-pyridinyl]prop-2-enamide is CNC(=O)/C=C/c1ccncc1-c1ccc2c(cnn2C)c1.
What is the InChIKey of (E)-N-methyl-3-[3-(1-methylindazol-5-yl)-4-pyridinyl]prop-2-enamide?
The InChIKey is DUHRDLUODNGVQE-GQCTYLIASA-N. The full InChI is InChI=1S/C17H16N4O/c1-18-17(22)6-4-12-7-8-19-11-15(12)13-3-5-16-14(9-13)10-20-21(16)2/h3-11H,1-2H3,(H,18,22)/b6-4+.
What are the key properties of (E)-N-methyl-3-[3-(1-methylindazol-5-yl)-4-pyridinyl]prop-2-enamide?
(E)-N-methyl-3-[3-(1-methylindazol-5-yl)-4-pyridinyl]prop-2-enamide has a molecular weight of 292.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-[3-(1-methylindazol-5-yl)-4-pyridinyl]prop-2-enamide is sourced from PubChem (CID 164612044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).