[1-(1H-indol-3-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]carbamic acid

C19H18N4O3 — CID 67853573

IUPAC[1-(1H-indol-3-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]carbamic acid
SMILESO=C(O)NC(=Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccn1
InChIInChI=1S/C19H18N4O3/c24-18(21-10-8-14-5-3-4-9-20-14)17(23-19(25)26)11-13-12-22-16-7-2-1-6-15(13)16/h1-7,9,11-12,22-23H,8,10H2,(H,21,24)(H,25,26)
InChIKeyHIVKUHGGBVYTRB-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.53
Rot. Bonds6

About [1-(1H-indol-3-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]carbamic acid

[1-(1H-indol-3-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]carbamic acid (PubChem CID 67853573) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is [1-(1H-indol-3-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(1H-indol-3-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]carbamic acid
PubChem CID67853573
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name[1-(1H-indol-3-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]carbamic acid
SMILESO=C(O)NC(=Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccn1
InChIInChI=1S/C19H18N4O3/c24-18(21-10-8-14-5-3-4-9-20-14)17(23-19(25)26)11-13-12-22-16-7-2-1-6-15(13)16/h1-7,9,11-12,22-23H,8,10H2,(H,21,24)(H,25,26)
InChIKeyHIVKUHGGBVYTRB-UHFFFAOYSA-N
XLogP2.53
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(E)-1-(1H-indol-3-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]carbamic acid
CID 67853578
N-[(Z)-1-(1H-indol-3-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide
CID 19059519
N-[(E)-1-(1H-indol-3-yl)-3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxoprop-1-en-2-yl]benzamide
CID 124658254
(Z)-3-(1H-indol-3-yl)-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide
CID 155277964
N-[(Z)-3-[2-(1H-indol-3-yl)ethylamino]-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
CID 6534054
(Z)-3-(1H-indol-3-yl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylprop-2-enamide
CID 155277918
2-cyano-3-(1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide
CID 842168
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-phenylethyl)oxamide
CID 135814036
N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane
CID 90877538
N-[1-(4-fluorophenyl)-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide
CID 3760760
2-[[(E)-3-(1H-indol-3-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoyl]amino]acetic acid
CID 171983393
N-[3-[2-(1H-indol-3-yl)ethylamino]-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 3844321

Frequently Asked Questions

What is the IUPAC name of [1-(1H-indol-3-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]carbamic acid?
The IUPAC name of [1-(1H-indol-3-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]carbamic acid (CID 67853573) is [1-(1H-indol-3-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]carbamic acid.
What is the SMILES notation for [1-(1H-indol-3-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]carbamic acid?
The canonical SMILES for [1-(1H-indol-3-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]carbamic acid is O=C(O)NC(=Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccn1.
What is the InChIKey of [1-(1H-indol-3-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]carbamic acid?
The InChIKey is HIVKUHGGBVYTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-18(21-10-8-14-5-3-4-9-20-14)17(23-19(25)26)11-13-12-22-16-7-2-1-6-15(13)16/h1-7,9,11-12,22-23H,8,10H2,(H,21,24)(H,25,26).
What are the key properties of [1-(1H-indol-3-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]carbamic acid?
[1-(1H-indol-3-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]carbamic acid has a molecular weight of 350.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indol-3-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]carbamic acid is sourced from PubChem (CID 67853573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).