5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide

C14H18N4O2 — CID 63117766

IUPAC5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(N)ccc2[nH]1)C(=O)N(C)C
InChIInChI=1S/C14H18N4O2/c1-8(14(20)18(2)3)16-13(19)12-7-9-6-10(15)4-5-11(9)17-12/h4-8,17H,15H2,1-3H3,(H,16,19)
InChIKeyKWWJYRDQFWLFAW-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.96
Rot. Bonds3

About 5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide

5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 63117766) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
PubChem CID63117766
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(N)ccc2[nH]1)C(=O)N(C)C
InChIInChI=1S/C14H18N4O2/c1-8(14(20)18(2)3)16-13(19)12-7-9-6-10(15)4-5-11(9)17-12/h4-8,17H,15H2,1-3H3,(H,16,19)
InChIKeyKWWJYRDQFWLFAW-UHFFFAOYSA-N
XLogP0.96
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 103106426
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
5-amino-N-propan-2-yl-1H-indole-2-carboxamide;N,N-dimethyl-2-propan-2-yloxyethanamine
CID 163474124
5-amino-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide
CID 63117840
5-amino-N-(2-methylbutyl)-1H-indole-2-carboxamide
CID 55179457
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588
5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70215186
5-amino-N-(1-thiophen-2-ylpropyl)-1H-indole-2-carboxamide
CID 63118272
5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 63117893
5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methoxybenzamide
CID 61094470
5-amino-N-(1-cyclopropylethyl)-N-methyl-1H-indole-2-carboxamide
CID 55178492
5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 62058585

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide (CID 63117766) is 5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide is CC(NC(=O)c1cc2cc(N)ccc2[nH]1)C(=O)N(C)C.
What is the InChIKey of 5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is KWWJYRDQFWLFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8(14(20)18(2)3)16-13(19)12-7-9-6-10(15)4-5-11(9)17-12/h4-8,17H,15H2,1-3H3,(H,16,19).
What are the key properties of 5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 63117766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).