4,6,7-trimethyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide

C16H21N3O — CID 68709252

IUPAC4,6,7-trimethyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NC3CCNC3)[nH]c2c1C
InChIInChI=1S/C16H21N3O/c1-9-6-10(2)13-7-14(19-15(13)11(9)3)16(20)18-12-4-5-17-8-12/h6-7,12,17,19H,4-5,8H2,1-3H3,(H,18,20)
InChIKeyHDUYRDYKOCOLLS-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.18
Rot. Bonds2

About 4,6,7-trimethyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide

4,6,7-trimethyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide (PubChem CID 68709252) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4,6,7-trimethyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6,7-trimethyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide
PubChem CID68709252
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4,6,7-trimethyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NC3CCNC3)[nH]c2c1C
InChIInChI=1S/C16H21N3O/c1-9-6-10(2)13-7-14(19-15(13)11(9)3)16(20)18-12-4-5-17-8-12/h6-7,12,17,19H,4-5,8H2,1-3H3,(H,18,20)
InChIKeyHDUYRDYKOCOLLS-UHFFFAOYSA-N
XLogP2.18
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide?
The IUPAC name of 4,6,7-trimethyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide (CID 68709252) is 4,6,7-trimethyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6,7-trimethyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide?
The canonical SMILES for 4,6,7-trimethyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide is Cc1cc(C)c2cc(C(=O)NC3CCNC3)[nH]c2c1C.
What is the InChIKey of 4,6,7-trimethyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide?
The InChIKey is HDUYRDYKOCOLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-9-6-10(2)13-7-14(19-15(13)11(9)3)16(20)18-12-4-5-17-8-12/h6-7,12,17,19H,4-5,8H2,1-3H3,(H,18,20).
What are the key properties of 4,6,7-trimethyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide?
4,6,7-trimethyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.18, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 68709252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).