3-methyl-N-[3-(prop-2-enoylamino)cyclobutyl]-1H-indole-6-carboxamide

C17H19N3O2 — CID 172888790

IUPAC3-methyl-N-[3-(prop-2-enoylamino)cyclobutyl]-1H-indole-6-carboxamide
SMILESC=CC(=O)NC1CC(NC(=O)c2ccc3c(C)c[nH]c3c2)C1
InChIInChI=1S/C17H19N3O2/c1-3-16(21)19-12-7-13(8-12)20-17(22)11-4-5-14-10(2)9-18-15(14)6-11/h3-6,9,12-13,18H,1,7-8H2,2H3,(H,19,21)(H,20,22)
InChIKeyGTFRFXAJMWOHCX-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.04
Rot. Bonds4

About 3-methyl-N-[3-(prop-2-enoylamino)cyclobutyl]-1H-indole-6-carboxamide

3-methyl-N-[3-(prop-2-enoylamino)cyclobutyl]-1H-indole-6-carboxamide (PubChem CID 172888790) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-methyl-N-[3-(prop-2-enoylamino)cyclobutyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(prop-2-enoylamino)cyclobutyl]-1H-indole-6-carboxamide
PubChem CID172888790
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3-methyl-N-[3-(prop-2-enoylamino)cyclobutyl]-1H-indole-6-carboxamide
SMILESC=CC(=O)NC1CC(NC(=O)c2ccc3c(C)c[nH]c3c2)C1
InChIInChI=1S/C17H19N3O2/c1-3-16(21)19-12-7-13(8-12)20-17(22)11-4-5-14-10(2)9-18-15(14)6-11/h3-6,9,12-13,18H,1,7-8H2,2H3,(H,19,21)(H,20,22)
InChIKeyGTFRFXAJMWOHCX-UHFFFAOYSA-N
XLogP2.04
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-piperidin-4-yl-1H-indole-6-carboxamide
CID 18453185
N-cyclopropyl-3-[(4E)-4-[1-(4-fluorophenyl)ethenyl]-5-hydroxyhexa-2,4-dien-3-yl]-1H-indole-6-carboxamide
CID 143437224
4-hydroxy-3-(prop-2-enoylamino)-N-(3-pyrrolidin-1-ylcyclobutyl)benzamide
CID 166414273
4-anilino-N-cyclopropyl-3-(prop-2-enoylamino)benzamide
CID 168801031
N-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide
CID 64722974
3-[(2,4-dimethylquinoline-7-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 121496875
methyl acetate;3-methyl-1H-indole
CID 90804638
N-[1-(cyclopropylmethyl)piperidin-4-yl]-4-methyl-2-oxo-1H-quinoline-7-carboxamide
CID 146132326
3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide
CID 69143133
N-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide
CID 43594956
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
N-(2,3-dihydro-1H-inden-2-yl)-3-methyl-4-(methylamino)benzamide
CID 107856256

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(prop-2-enoylamino)cyclobutyl]-1H-indole-6-carboxamide?
The IUPAC name of 3-methyl-N-[3-(prop-2-enoylamino)cyclobutyl]-1H-indole-6-carboxamide (CID 172888790) is 3-methyl-N-[3-(prop-2-enoylamino)cyclobutyl]-1H-indole-6-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(prop-2-enoylamino)cyclobutyl]-1H-indole-6-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(prop-2-enoylamino)cyclobutyl]-1H-indole-6-carboxamide is C=CC(=O)NC1CC(NC(=O)c2ccc3c(C)c[nH]c3c2)C1.
What is the InChIKey of 3-methyl-N-[3-(prop-2-enoylamino)cyclobutyl]-1H-indole-6-carboxamide?
The InChIKey is GTFRFXAJMWOHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-16(21)19-12-7-13(8-12)20-17(22)11-4-5-14-10(2)9-18-15(14)6-11/h3-6,9,12-13,18H,1,7-8H2,2H3,(H,19,21)(H,20,22).
What are the key properties of 3-methyl-N-[3-(prop-2-enoylamino)cyclobutyl]-1H-indole-6-carboxamide?
3-methyl-N-[3-(prop-2-enoylamino)cyclobutyl]-1H-indole-6-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(prop-2-enoylamino)cyclobutyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 172888790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).