3-methyl-N-[2-(methylamino)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C14H21N3O2 — CID 120827064

IUPAC3-methyl-N-[2-(methylamino)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCNC(C)CNC(=O)c1[nH]c2c(c1C)C(=O)CCC2
InChIInChI=1S/C14H21N3O2/c1-8(15-3)7-16-14(19)13-9(2)12-10(17-13)5-4-6-11(12)18/h8,15,17H,4-7H2,1-3H3,(H,16,19)
InChIKeyKYEFWAGWCPWAFL-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.18
Rot. Bonds4

About 3-methyl-N-[2-(methylamino)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

3-methyl-N-[2-(methylamino)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 120827064) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-methyl-N-[2-(methylamino)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(methylamino)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID120827064
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-methyl-N-[2-(methylamino)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCNC(C)CNC(=O)c1[nH]c2c(c1C)C(=O)CCC2
InChIInChI=1S/C14H21N3O2/c1-8(15-3)7-16-14(19)13-9(2)12-10(17-13)5-4-6-11(12)18/h8,15,17H,4-7H2,1-3H3,(H,16,19)
InChIKeyKYEFWAGWCPWAFL-UHFFFAOYSA-N
XLogP1.18
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 163317262
3-methyl-N-[3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclobutyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 166191316
N-(4-butan-2-ylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 24536546
N-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 32736105
2-methyl-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]-2-phenylpropanoic acid
CID 120701412
N-[4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 47014543
2-cyclopropyl-2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid
CID 119213461
5-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119245911
methyl (2S)-2-methyl-3-[methyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]propanoate
CID 94824119
3-methyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 94131690
3-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 55720483
methyl N-[4-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]phenyl]carbamate
CID 60517720

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(methylamino)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-(methylamino)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 120827064) is 3-methyl-N-[2-(methylamino)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(methylamino)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(methylamino)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is CNC(C)CNC(=O)c1[nH]c2c(c1C)C(=O)CCC2.
What is the InChIKey of 3-methyl-N-[2-(methylamino)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is KYEFWAGWCPWAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-8(15-3)7-16-14(19)13-9(2)12-10(17-13)5-4-6-11(12)18/h8,15,17H,4-7H2,1-3H3,(H,16,19).
What are the key properties of 3-methyl-N-[2-(methylamino)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
3-methyl-N-[2-(methylamino)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(methylamino)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 120827064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).