3-bromo-1-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]indole-2-carboxamide

C20H21BrN4O — CID 55665645

IUPAC3-bromo-1-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]indole-2-carboxamide
SMILESCn1c(C(=O)NCc2ccc(N3CCCC3)nc2)c(Br)c2ccccc21
InChIInChI=1S/C20H21BrN4O/c1-24-16-7-3-2-6-15(16)18(21)19(24)20(26)23-13-14-8-9-17(22-12-14)25-10-4-5-11-25/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,23,26)
InChIKeyXAXXMBROIUJDMX-UHFFFAOYSA-N
MW413.32 g/mol
LogP3.87
Rot. Bonds4

About 3-bromo-1-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]indole-2-carboxamide

3-bromo-1-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]indole-2-carboxamide (PubChem CID 55665645) has the molecular formula C20H21BrN4O and a molecular weight of 413.32 g/mol. Its IUPAC name is 3-bromo-1-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]indole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-1-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]indole-2-carboxamide
PubChem CID55665645
Molecular FormulaC20H21BrN4O
Molecular Weight413.32 g/mol
Exact Mass412.09
IUPAC Name3-bromo-1-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]indole-2-carboxamide
SMILESCn1c(C(=O)NCc2ccc(N3CCCC3)nc2)c(Br)c2ccccc21
InChIInChI=1S/C20H21BrN4O/c1-24-16-7-3-2-6-15(16)18(21)19(24)20(26)23-13-14-8-9-17(22-12-14)25-10-4-5-11-25/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,23,26)
InChIKeyXAXXMBROIUJDMX-UHFFFAOYSA-N
XLogP3.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-1-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide
CID 46435446
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-bromobenzamide
CID 71842550
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 47043377
3-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-2-carboxamide
CID 46435453
6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 47042368
4-bromo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
CID 37481765
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide
CID 71842567
2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 30832005

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]indole-2-carboxamide?
The IUPAC name of 3-bromo-1-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]indole-2-carboxamide (CID 55665645) is 3-bromo-1-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]indole-2-carboxamide.
What is the SMILES notation for 3-bromo-1-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]indole-2-carboxamide?
The canonical SMILES for 3-bromo-1-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]indole-2-carboxamide is Cn1c(C(=O)NCc2ccc(N3CCCC3)nc2)c(Br)c2ccccc21.
What is the InChIKey of 3-bromo-1-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]indole-2-carboxamide?
The InChIKey is XAXXMBROIUJDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4O/c1-24-16-7-3-2-6-15(16)18(21)19(24)20(26)23-13-14-8-9-17(22-12-14)25-10-4-5-11-25/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,23,26).
What are the key properties of 3-bromo-1-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]indole-2-carboxamide?
3-bromo-1-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]indole-2-carboxamide has a molecular weight of 413.32 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]indole-2-carboxamide is sourced from PubChem (CID 55665645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).