1,7-dimethyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]indole-2-carboxamide

C22H25N3O — CID 72880637

IUPAC1,7-dimethyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]indole-2-carboxamide
SMILESCc1cccc2cc(C(=O)NCc3cccc(N4CCCC4)c3)n(C)c12
InChIInChI=1S/C22H25N3O/c1-16-7-5-9-18-14-20(24(2)21(16)18)22(26)23-15-17-8-6-10-19(13-17)25-11-3-4-12-25/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,23,26)
InChIKeyYFVNHAVLJCSNOU-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.02
Rot. Bonds4

About 1,7-dimethyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]indole-2-carboxamide

1,7-dimethyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]indole-2-carboxamide (PubChem CID 72880637) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1,7-dimethyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]indole-2-carboxamide.

Molecular Properties

Compound Name1,7-dimethyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]indole-2-carboxamide
PubChem CID72880637
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1,7-dimethyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]indole-2-carboxamide
SMILESCc1cccc2cc(C(=O)NCc3cccc(N4CCCC4)c3)n(C)c12
InChIInChI=1S/C22H25N3O/c1-16-7-5-9-18-14-20(24(2)21(16)18)22(26)23-15-17-8-6-10-19(13-17)25-11-3-4-12-25/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,23,26)
InChIKeyYFVNHAVLJCSNOU-UHFFFAOYSA-N
XLogP4.02
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1,7-dimethylindole-2-carbonyl)amino]acetic acid
CID 110835889
N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 91394219
1,7-dimethyl-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 110851900
N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 110295113
3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 97201806
3-(4-methoxyphenyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 70750973
(3-thiomorpholin-4-ylphenyl)methylcarbamic acid
CID 118480871
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,7-dimethylindole-2-carboxamide
CID 72864091
N-[(3-methylphenyl)methyl]-9-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide
CID 20916312
2-(pyrrolidin-1-ylmethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 74239423
(4,4-difluoropiperidin-1-yl)-(1,7-dimethylindol-2-yl)methanone
CID 72848626
5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232264

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]indole-2-carboxamide?
The IUPAC name of 1,7-dimethyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]indole-2-carboxamide (CID 72880637) is 1,7-dimethyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]indole-2-carboxamide.
What is the SMILES notation for 1,7-dimethyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]indole-2-carboxamide?
The canonical SMILES for 1,7-dimethyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]indole-2-carboxamide is Cc1cccc2cc(C(=O)NCc3cccc(N4CCCC4)c3)n(C)c12.
What is the InChIKey of 1,7-dimethyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]indole-2-carboxamide?
The InChIKey is YFVNHAVLJCSNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-7-5-9-18-14-20(24(2)21(16)18)22(26)23-15-17-8-6-10-19(13-17)25-11-3-4-12-25/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,23,26).
What are the key properties of 1,7-dimethyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]indole-2-carboxamide?
1,7-dimethyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]indole-2-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]indole-2-carboxamide is sourced from PubChem (CID 72880637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).