2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide

C19H19N5O3 — CID 91943875

IUPAC2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide
SMILESCOc1ccc(C=CC(=O)NC(C)C(=O)Nc2ccc3nncn3c2)cc1
InChIInChI=1S/C19H19N5O3/c1-13(19(26)22-15-6-9-17-23-20-12-24(17)11-15)21-18(25)10-5-14-3-7-16(27-2)8-4-14/h3-13H,1-2H3,(H,21,25)(H,22,26)
InChIKeyJBGKNJFTXMZCAS-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.89
Rot. Bonds6

About 2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide

2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide (PubChem CID 91943875) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide
PubChem CID91943875
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide
SMILESCOc1ccc(C=CC(=O)NC(C)C(=O)Nc2ccc3nncn3c2)cc1
InChIInChI=1S/C19H19N5O3/c1-13(19(26)22-15-6-9-17-23-20-12-24(17)11-15)21-18(25)10-5-14-3-7-16(27-2)8-4-14/h3-13H,1-2H3,(H,21,25)(H,22,26)
InChIKeyJBGKNJFTXMZCAS-UHFFFAOYSA-N
XLogP1.89
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51161656
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-pyridin-4-yloxyphenyl)propanamide
CID 49363843
N-(3-hydroxyphenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 78783119
N-(4-fluoro-3-nitrophenyl)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanamide
CID 55348406
N-cyclopropyl-4-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide
CID 55490185
N-(2-butylpyrazol-3-yl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 55674580
N-[(4-methoxyphenyl)methyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 18162307
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(5-piperidin-1-yl-2-pyridinyl)propanamide
CID 78878117
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
CID 8939556
(2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 51865184
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 46605047
methyl 4-[[(2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]benzoate
CID 9068812

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide (CID 91943875) is 2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide is COc1ccc(C=CC(=O)NC(C)C(=O)Nc2ccc3nncn3c2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide?
The InChIKey is JBGKNJFTXMZCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-13(19(26)22-15-6-9-17-23-20-12-24(17)11-15)21-18(25)10-5-14-3-7-16(27-2)8-4-14/h3-13H,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide?
2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide has a molecular weight of 365.39 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide is sourced from PubChem (CID 91943875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).