5-N,5-N-dimethyl-2-N-propyl-1H-indole-2,5-dicarboxamide

C15H19N3O2 — CID 159082495

IUPAC5-N,5-N-dimethyl-2-N-propyl-1H-indole-2,5-dicarboxamide
SMILESCCCNC(=O)c1cc2cc(C(=O)N(C)C)ccc2[nH]1
InChIInChI=1S/C15H19N3O2/c1-4-7-16-14(19)13-9-11-8-10(15(20)18(2)3)5-6-12(11)17-13/h5-6,8-9,17H,4,7H2,1-3H3,(H,16,19)
InChIKeyXPHHUXJMRWHEJS-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.01
Rot. Bonds4

About 5-N,5-N-dimethyl-2-N-propyl-1H-indole-2,5-dicarboxamide

5-N,5-N-dimethyl-2-N-propyl-1H-indole-2,5-dicarboxamide (PubChem CID 159082495) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-N,5-N-dimethyl-2-N-propyl-1H-indole-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N,5-N-dimethyl-2-N-propyl-1H-indole-2,5-dicarboxamide
PubChem CID159082495
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-N,5-N-dimethyl-2-N-propyl-1H-indole-2,5-dicarboxamide
SMILESCCCNC(=O)c1cc2cc(C(=O)N(C)C)ccc2[nH]1
InChIInChI=1S/C15H19N3O2/c1-4-7-16-14(19)13-9-11-8-10(15(20)18(2)3)5-6-12(11)17-13/h5-6,8-9,17H,4,7H2,1-3H3,(H,16,19)
InChIKeyXPHHUXJMRWHEJS-UHFFFAOYSA-N
XLogP2.01
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-6-yl]-2-N-[2-(propylcarbamoyl)-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide
CID 20755648
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-fluoro-1H-indole-2-carboxamide
CID 46415642
N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide
CID 113207116
5-N-[2-(methylamino)ethyl]-2-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 58747078
N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958
2-[[5-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carbonyl]amino]ethylcarbamic acid
CID 135122252
2-N-(2-aminoethyl)-5-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 58747054
N-[2-(diethylamino)ethyl]-5-iodo-1H-indole-2-carboxamide;hydrochloride
CID 24797317
2-N,5-N-bis[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide
CID 20755652
5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-N-propyl-1H-indole-2-carboxamide
CID 69282619
5-ethyl-N-(2-formamidoethyl)-1H-indole-2-carboxamide
CID 145164495
5-N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-2-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 10461697

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-dimethyl-2-N-propyl-1H-indole-2,5-dicarboxamide?
The IUPAC name of 5-N,5-N-dimethyl-2-N-propyl-1H-indole-2,5-dicarboxamide (CID 159082495) is 5-N,5-N-dimethyl-2-N-propyl-1H-indole-2,5-dicarboxamide.
What is the SMILES notation for 5-N,5-N-dimethyl-2-N-propyl-1H-indole-2,5-dicarboxamide?
The canonical SMILES for 5-N,5-N-dimethyl-2-N-propyl-1H-indole-2,5-dicarboxamide is CCCNC(=O)c1cc2cc(C(=O)N(C)C)ccc2[nH]1.
What is the InChIKey of 5-N,5-N-dimethyl-2-N-propyl-1H-indole-2,5-dicarboxamide?
The InChIKey is XPHHUXJMRWHEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-7-16-14(19)13-9-11-8-10(15(20)18(2)3)5-6-12(11)17-13/h5-6,8-9,17H,4,7H2,1-3H3,(H,16,19).
What are the key properties of 5-N,5-N-dimethyl-2-N-propyl-1H-indole-2,5-dicarboxamide?
5-N,5-N-dimethyl-2-N-propyl-1H-indole-2,5-dicarboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-dimethyl-2-N-propyl-1H-indole-2,5-dicarboxamide is sourced from PubChem (CID 159082495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).