4-methyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide

C14H17N3O — CID 68710712

IUPAC4-methyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide
SMILESCc1cccc2[nH]c(C(=O)NC3CCNC3)cc12
InChIInChI=1S/C14H17N3O/c1-9-3-2-4-12-11(9)7-13(17-12)14(18)16-10-5-6-15-8-10/h2-4,7,10,15,17H,5-6,8H2,1H3,(H,16,18)
InChIKeyDKRDECSAZPLYJI-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.57
Rot. Bonds2

About 4-methyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide

4-methyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide (PubChem CID 68710712) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-methyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide
PubChem CID68710712
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-methyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide
SMILESCc1cccc2[nH]c(C(=O)NC3CCNC3)cc12
InChIInChI=1S/C14H17N3O/c1-9-3-2-4-12-11(9)7-13(17-12)14(18)16-10-5-6-15-8-10/h2-4,7,10,15,17H,5-6,8H2,1H3,(H,16,18)
InChIKeyDKRDECSAZPLYJI-UHFFFAOYSA-N
XLogP1.57
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 44555586
4-methyl-N-piperidin-3-yl-1H-indole-2-carboxamide
CID 68708484
4,6,7-trimethyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide
CID 68709252
2,6-dimethyl-N-piperidin-3-ylbenzamide
CID 114025985
4-(5-methyl-1-oxo-2H-isoquinolin-3-yl)-N-pyrrolidin-3-ylbenzamide
CID 122626915
1-oxo-N-pyrrolidin-3-yl-2H-isoquinoline-3-carboxamide
CID 119449475
2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide
CID 79687976
4-(4-ethoxyphenyl)-N-piperidin-4-yl-1H-indole-2-carboxamide
CID 66841712
6-(dimethylamino)-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 44556230
4-fluoro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide
CID 47151029
3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 81472649
3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454037

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide?
The IUPAC name of 4-methyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide (CID 68710712) is 4-methyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 4-methyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide?
The canonical SMILES for 4-methyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide is Cc1cccc2[nH]c(C(=O)NC3CCNC3)cc12.
What is the InChIKey of 4-methyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide?
The InChIKey is DKRDECSAZPLYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-3-2-4-12-11(9)7-13(17-12)14(18)16-10-5-6-15-8-10/h2-4,7,10,15,17H,5-6,8H2,1H3,(H,16,18).
What are the key properties of 4-methyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide?
4-methyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.57, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 68710712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).