5-methoxy-1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]indole-2-carboxamide

C17H23N3O2 — CID 56721773

IUPAC5-methoxy-1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]indole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)NCC1CCN(C)C1)n2C
InChIInChI=1S/C17H23N3O2/c1-19-7-6-12(11-19)10-18-17(21)16-9-13-8-14(22-3)4-5-15(13)20(16)2/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,18,21)
InChIKeyWYYJRLRGWSIAQQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.87
Rot. Bonds4

About 5-methoxy-1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]indole-2-carboxamide

5-methoxy-1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]indole-2-carboxamide (PubChem CID 56721773) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-methoxy-1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]indole-2-carboxamide
PubChem CID56721773
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name5-methoxy-1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]indole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)NCC1CCN(C)C1)n2C
InChIInChI=1S/C17H23N3O2/c1-19-7-6-12(11-19)10-18-17(21)16-9-13-8-14(22-3)4-5-15(13)20(16)2/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,18,21)
InChIKeyWYYJRLRGWSIAQQ-UHFFFAOYSA-N
XLogP1.87
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-1-methyl-N-[[(6S)-4-methyl-1,4-oxazepan-6-yl]methyl]indole-2-carboxamide
CID 124855535
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
N-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide
CID 110833437
3-amino-5-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 81089783
N-[[3-(dimethylamino)phenyl]methyl]-5-methoxy-1-methylindole-2-carboxamide
CID 70739975
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
N'-[(4-methoxyphenyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886512
N-(cyclohexylmethyl)-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide
CID 172905239
5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)indole-2-carboxamide
CID 70744157
4-[3-[(5-methoxy-1-methylindole-2-carbonyl)amino]propyl]-1,2,5-oxadiazole-3-carboxylic acid
CID 72885216
3-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 110737506
2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 72891753

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]indole-2-carboxamide?
The IUPAC name of 5-methoxy-1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]indole-2-carboxamide (CID 56721773) is 5-methoxy-1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]indole-2-carboxamide?
The canonical SMILES for 5-methoxy-1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]indole-2-carboxamide is COc1ccc2c(c1)cc(C(=O)NCC1CCN(C)C1)n2C.
What is the InChIKey of 5-methoxy-1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]indole-2-carboxamide?
The InChIKey is WYYJRLRGWSIAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-19-7-6-12(11-19)10-18-17(21)16-9-13-8-14(22-3)4-5-15(13)20(16)2/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,18,21).
What are the key properties of 5-methoxy-1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]indole-2-carboxamide?
5-methoxy-1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]indole-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]indole-2-carboxamide is sourced from PubChem (CID 56721773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).