1-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)methyl]pyrrole-3-carboxamide

C16H19N3O — CID 70812345

IUPAC1-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)methyl]pyrrole-3-carboxamide
SMILESCC1Cc2cc(CNC(=O)c3ccn(C)c3)ccc2N1
InChIInChI=1S/C16H19N3O/c1-11-7-14-8-12(3-4-15(14)18-11)9-17-16(20)13-5-6-19(2)10-13/h3-6,8,10-11,18H,7,9H2,1-2H3,(H,17,20)
InChIKeyHPXFEONOMGBRHZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.31
Rot. Bonds3

About 1-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)methyl]pyrrole-3-carboxamide

1-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)methyl]pyrrole-3-carboxamide (PubChem CID 70812345) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)methyl]pyrrole-3-carboxamide
PubChem CID70812345
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)methyl]pyrrole-3-carboxamide
SMILESCC1Cc2cc(CNC(=O)c3ccn(C)c3)ccc2N1
InChIInChI=1S/C16H19N3O/c1-11-7-14-8-12(3-4-15(14)18-11)9-17-16(20)13-5-6-19(2)10-13/h3-6,8,10-11,18H,7,9H2,1-2H3,(H,17,20)
InChIKeyHPXFEONOMGBRHZ-UHFFFAOYSA-N
XLogP2.31
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762676
2-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethylamino]ethanol
CID 82256939
N-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxamide
CID 82494322
2-N,4-N-bis[(3,4-dihydroxyphenyl)methyl]-1-methylpyrrole-2,4-dicarboxamide
CID 67598436
1-methyl-N-(2-oxoethyl)pyrrole-3-carboxamide
CID 154668563
N-[(1-methylpyrrol-3-yl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103814714
N-butyl-1-methylpyrrole-3-carboxamide
CID 110762618
[(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone
CID 70909466
3,4-dimethyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]benzamide
CID 110781303
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 102953575
4-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781545
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methylfuran-3-carboxamide
CID 105357534

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)methyl]pyrrole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)methyl]pyrrole-3-carboxamide (CID 70812345) is 1-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)methyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)methyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)methyl]pyrrole-3-carboxamide is CC1Cc2cc(CNC(=O)c3ccn(C)c3)ccc2N1.
What is the InChIKey of 1-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)methyl]pyrrole-3-carboxamide?
The InChIKey is HPXFEONOMGBRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-7-14-8-12(3-4-15(14)18-11)9-17-16(20)13-5-6-19(2)10-13/h3-6,8,10-11,18H,7,9H2,1-2H3,(H,17,20).
What are the key properties of 1-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)methyl]pyrrole-3-carboxamide?
1-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)methyl]pyrrole-3-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-methyl-2,3-dihydro-1H-indol-5-yl)methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 70812345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).