N-[(1-methylpyrrolidin-2-yl)methyl]-N-(2-phenylethyl)-1H-indole-2-carboxamide

C23H27N3O — CID 129043902

IUPACN-[(1-methylpyrrolidin-2-yl)methyl]-N-(2-phenylethyl)-1H-indole-2-carboxamide
SMILESCN1CCCC1CN(CCc1ccccc1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C23H27N3O/c1-25-14-7-11-20(25)17-26(15-13-18-8-3-2-4-9-18)23(27)22-16-19-10-5-6-12-21(19)24-22/h2-6,8-10,12,16,20,24H,7,11,13-15,17H2,1H3
InChIKeyXCVKRQNZBIHMNC-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.95
Rot. Bonds6

About N-[(1-methylpyrrolidin-2-yl)methyl]-N-(2-phenylethyl)-1H-indole-2-carboxamide

N-[(1-methylpyrrolidin-2-yl)methyl]-N-(2-phenylethyl)-1H-indole-2-carboxamide (PubChem CID 129043902) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-2-yl)methyl]-N-(2-phenylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-2-yl)methyl]-N-(2-phenylethyl)-1H-indole-2-carboxamide
PubChem CID129043902
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-[(1-methylpyrrolidin-2-yl)methyl]-N-(2-phenylethyl)-1H-indole-2-carboxamide
SMILESCN1CCCC1CN(CCc1ccccc1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C23H27N3O/c1-25-14-7-11-20(25)17-26(15-13-18-8-3-2-4-9-18)23(27)22-16-19-10-5-6-12-21(19)24-22/h2-6,8-10,12,16,20,24H,7,11,13-15,17H2,1H3
InChIKeyXCVKRQNZBIHMNC-UHFFFAOYSA-N
XLogP3.95
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-(2-phenylethyl)-1H-indole-2-carboxamide
CID 53373863
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 129055670
N-benzyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931142
N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 128997868
N-ethyl-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931134
N-[(1-benzylpiperidin-4-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide
CID 129055481
N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-propan-2-yl-1H-indole-2-carboxamide
CID 140931219
1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56820473
N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide
CID 61212193
ethyl 6-[3-(1-methylpyrrolidin-2-yl)propyl]-1H-indole-2-carboxylate
CID 71101782
3-benzyl-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]urea
CID 107653183
N-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
CID 140931172

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-N-(2-phenylethyl)-1H-indole-2-carboxamide?
The IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-N-(2-phenylethyl)-1H-indole-2-carboxamide (CID 129043902) is N-[(1-methylpyrrolidin-2-yl)methyl]-N-(2-phenylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrolidin-2-yl)methyl]-N-(2-phenylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1-methylpyrrolidin-2-yl)methyl]-N-(2-phenylethyl)-1H-indole-2-carboxamide is CN1CCCC1CN(CCc1ccccc1)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(1-methylpyrrolidin-2-yl)methyl]-N-(2-phenylethyl)-1H-indole-2-carboxamide?
The InChIKey is XCVKRQNZBIHMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-25-14-7-11-20(25)17-26(15-13-18-8-3-2-4-9-18)23(27)22-16-19-10-5-6-12-21(19)24-22/h2-6,8-10,12,16,20,24H,7,11,13-15,17H2,1H3.
What are the key properties of N-[(1-methylpyrrolidin-2-yl)methyl]-N-(2-phenylethyl)-1H-indole-2-carboxamide?
N-[(1-methylpyrrolidin-2-yl)methyl]-N-(2-phenylethyl)-1H-indole-2-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-2-yl)methyl]-N-(2-phenylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 129043902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).