(E)-N-methyl-3-[3-(1-methylindazol-6-yl)-4-pyridinyl]prop-2-enamide

C17H16N4O — CID 164625470

IUPAC(E)-N-methyl-3-[3-(1-methylindazol-6-yl)-4-pyridinyl]prop-2-enamide
SMILESCNC(=O)/C=C/c1ccncc1-c1ccc2cnn(C)c2c1
InChIInChI=1S/C17H16N4O/c1-18-17(22)6-5-12-7-8-19-11-15(12)13-3-4-14-10-20-21(2)16(14)9-13/h3-11H,1-2H3,(H,18,22)/b6-5+
InChIKeyDXVKGQQEWOMBGW-AATRIKPKSA-N
MW292.34 g/mol
LogP2.39
Rot. Bonds3

About (E)-N-methyl-3-[3-(1-methylindazol-6-yl)-4-pyridinyl]prop-2-enamide

(E)-N-methyl-3-[3-(1-methylindazol-6-yl)-4-pyridinyl]prop-2-enamide (PubChem CID 164625470) 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-6-yl)-4-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-[3-(1-methylindazol-6-yl)-4-pyridinyl]prop-2-enamide
PubChem CID164625470
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name(E)-N-methyl-3-[3-(1-methylindazol-6-yl)-4-pyridinyl]prop-2-enamide
SMILESCNC(=O)/C=C/c1ccncc1-c1ccc2cnn(C)c2c1
InChIInChI=1S/C17H16N4O/c1-18-17(22)6-5-12-7-8-19-11-15(12)13-3-4-14-10-20-21(2)16(14)9-13/h3-11H,1-2H3,(H,18,22)/b6-5+
InChIKeyDXVKGQQEWOMBGW-AATRIKPKSA-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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1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
CID 132186817
N-[2-(2-methyl-8,9-dihydro-7H-cyclopenta[c]pyrazolo[1,5-a]pyridin-9-yl)ethyl]propanamide
CID 25025104
(E)-N-hydroxy-3-[4-[1-[2-(2-pyridin-3-ylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 44234773
N-[2-(2-methyl-8,9-dihydro-7H-cyclopenta[c]pyrazolo[1,5-a]pyridin-9-yl)ethyl]acetamide
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(E)-N-hydroxy-3-[4-[1-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 87290521
(E)-N-hydroxy-3-[4-[1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 87290634
(E)-N-[5-[4-[[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide
CID 132942960
(E)-N-[7-[4-[[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]heptyl]-3-pyridin-3-ylprop-2-enamide
CID 145100143

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-[3-(1-methylindazol-6-yl)-4-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-methyl-3-[3-(1-methylindazol-6-yl)-4-pyridinyl]prop-2-enamide (CID 164625470) is (E)-N-methyl-3-[3-(1-methylindazol-6-yl)-4-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-[3-(1-methylindazol-6-yl)-4-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-[3-(1-methylindazol-6-yl)-4-pyridinyl]prop-2-enamide is CNC(=O)/C=C/c1ccncc1-c1ccc2cnn(C)c2c1.
What is the InChIKey of (E)-N-methyl-3-[3-(1-methylindazol-6-yl)-4-pyridinyl]prop-2-enamide?
The InChIKey is DXVKGQQEWOMBGW-AATRIKPKSA-N. The full InChI is InChI=1S/C17H16N4O/c1-18-17(22)6-5-12-7-8-19-11-15(12)13-3-4-14-10-20-21(2)16(14)9-13/h3-11H,1-2H3,(H,18,22)/b6-5+.
What are the key properties of (E)-N-methyl-3-[3-(1-methylindazol-6-yl)-4-pyridinyl]prop-2-enamide?
(E)-N-methyl-3-[3-(1-methylindazol-6-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-6-yl)-4-pyridinyl]prop-2-enamide is sourced from PubChem (CID 164625470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).