N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide

C16H21N3O — CID 63373207

IUPACN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide
SMILESCN1CCC(CN(C)C(=O)c2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C16H21N3O/c1-18-8-6-12(10-18)11-19(2)16(20)14-4-3-13-5-7-17-15(13)9-14/h3-5,7,9,12,17H,6,8,10-11H2,1-2H3
InChIKeyUVOZOLLOMPLEJT-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.19
Rot. Bonds3

About N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide

N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide (PubChem CID 63373207) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide
PubChem CID63373207
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide
SMILESCN1CCC(CN(C)C(=O)c2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C16H21N3O/c1-18-8-6-12(10-18)11-19(2)16(20)14-4-3-13-5-7-17-15(13)9-14/h3-5,7,9,12,17H,6,8,10-11H2,1-2H3
InChIKeyUVOZOLLOMPLEJT-UHFFFAOYSA-N
XLogP2.19
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103765252
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1H-indole-6-carboxamide
CID 129006692
3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 55170280
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107029608
4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 81005125
4-(chloromethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63275957
N-(cyclopropylmethyl)-N-propyl-1H-indole-6-carboxamide
CID 61060523
4-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63236434
4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 104782905
4-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63274929
N-(2,2-difluoroethyl)-N-methyl-1H-indole-6-carboxamide
CID 113231691

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide (CID 63373207) is N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide is CN1CCC(CN(C)C(=O)c2ccc3cc[nH]c3c2)C1.
What is the InChIKey of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide?
The InChIKey is UVOZOLLOMPLEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-18-8-6-12(10-18)11-19(2)16(20)14-4-3-13-5-7-17-15(13)9-14/h3-5,7,9,12,17H,6,8,10-11H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide?
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 63373207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).