N-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide

C16H18N2O — CID 103839267

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide
SMILESO=C(NCC1(C2CC2)CC1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H18N2O/c19-15(18-10-16(6-7-16)13-2-3-13)12-1-4-14-11(9-12)5-8-17-14/h1,4-5,8-9,13,17H,2-3,6-7,10H2,(H,18,19)
InChIKeyWKNHDGSOMZHBQB-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.09
Rot. Bonds4

About N-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide

N-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide (PubChem CID 103839267) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide
PubChem CID103839267
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide
SMILESO=C(NCC1(C2CC2)CC1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H18N2O/c19-15(18-10-16(6-7-16)13-2-3-13)12-1-4-14-11(9-12)5-8-17-14/h1,4-5,8-9,13,17H,2-3,6-7,10H2,(H,18,19)
InChIKeyWKNHDGSOMZHBQB-UHFFFAOYSA-N
XLogP3.09
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-aminocyclobutyl)methyl]-1H-indole-5-carboxamide
CID 103352557
N-[(1-methylsulfanylcyclobutyl)methyl]-1H-indole-5-carboxamide
CID 107271586
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-indole-5-carboxamide
CID 107302119
4-[(1H-indole-5-carbonylamino)methyl]oxane-4-carboxylic acid
CID 120542937
N-(2-cyclopropyl-2-hydroxyethyl)-1H-indole-5-carboxamide
CID 55257824
3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-4-fluorobenzamide
CID 103839324
N-(piperidin-4-ylmethyl)-1H-indole-5-carboxamide
CID 63747736
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
N-[3-(methylamino)propyl]-1H-indole-5-carboxamide
CID 63749863
N-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide
CID 113355829
N-[(5-hydroxy-1,3,3-trimethylcyclohexyl)methyl]-1H-indole-5-carboxamide
CID 57481108
1-[(1H-indole-6-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449311

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide (CID 103839267) is N-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide is O=C(NCC1(C2CC2)CC1)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide?
The InChIKey is WKNHDGSOMZHBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-15(18-10-16(6-7-16)13-2-3-13)12-1-4-14-11(9-12)5-8-17-14/h1,4-5,8-9,13,17H,2-3,6-7,10H2,(H,18,19).
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide?
N-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 103839267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).