N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide

C14H17N3O — CID 61344606

IUPACN-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide
SMILESCN1CCC(NC(=O)c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C14H17N3O/c1-17-7-6-11(9-17)15-14(18)13-8-10-4-2-3-5-12(10)16-13/h2-5,8,11,16H,6-7,9H2,1H3,(H,15,18)
InChIKeyXWTOPEKHQTZWHP-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.60
Rot. Bonds2

About N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide

N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide (PubChem CID 61344606) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide
PubChem CID61344606
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide
SMILESCN1CCC(NC(=O)c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C14H17N3O/c1-17-7-6-11(9-17)15-14(18)13-8-10-4-2-3-5-12(10)16-13/h2-5,8,11,16H,6-7,9H2,1H3,(H,15,18)
InChIKeyXWTOPEKHQTZWHP-UHFFFAOYSA-N
XLogP1.60
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide
CID 61212193
5-methyl-N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 47375273
7-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 44556339
N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide
CID 51219847
5-amino-N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide
CID 63118303
N-(4-aminocyclohexyl)-1H-indole-2-carboxamide
CID 62318715
N-(1-methyl-5-oxopyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 110474030
methyl (3R)-3-(1H-indole-2-carbonylamino)azepane-1-carboxylate
CID 96580468
N-(3-methylcyclopentyl)-1H-indole-2-carboxamide
CID 114550625
N-(3,4-dimethylcyclohexyl)-1H-indole-2-carboxamide
CID 64742784
N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide
CID 61237731
N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 164635055

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide (CID 61344606) is N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide is CN1CCC(NC(=O)c2cc3ccccc3[nH]2)C1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide?
The InChIKey is XWTOPEKHQTZWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17-7-6-11(9-17)15-14(18)13-8-10-4-2-3-5-12(10)16-13/h2-5,8,11,16H,6-7,9H2,1H3,(H,15,18).
What are the key properties of N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide?
N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 61344606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).