2,3-dimethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1H-indole-7-carboxamide

C31H36N4O2 — CID 26399369

IUPAC2,3-dimethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)N(Cc3ccc(OCCN4CCCCC4)cc3)Cc3ccccn3)cccc2c1C
InChIInChI=1S/C31H36N4O2/c1-23-24(2)33-30-28(23)10-8-11-29(30)31(36)35(22-26-9-4-5-16-32-26)21-25-12-14-27(15-13-25)37-20-19-34-17-6-3-7-18-34/h4-5,8-16,33H,3,6-7,17-22H2,1-2H3
InChIKeyBNUSTSSLZFFNIS-UHFFFAOYSA-N
MW496.66 g/mol
LogP5.89
Rot. Bonds9

About 2,3-dimethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1H-indole-7-carboxamide

2,3-dimethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1H-indole-7-carboxamide (PubChem CID 26399369) has the molecular formula C31H36N4O2 and a molecular weight of 496.66 g/mol. Its IUPAC name is 2,3-dimethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1H-indole-7-carboxamide
PubChem CID26399369
Molecular FormulaC31H36N4O2
Molecular Weight496.66 g/mol
Exact Mass496.28
IUPAC Name2,3-dimethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)N(Cc3ccc(OCCN4CCCCC4)cc3)Cc3ccccn3)cccc2c1C
InChIInChI=1S/C31H36N4O2/c1-23-24(2)33-30-28(23)10-8-11-29(30)31(36)35(22-26-9-4-5-16-32-26)21-25-12-14-27(15-13-25)37-20-19-34-17-6-3-7-18-34/h4-5,8-16,33H,3,6-7,17-22H2,1-2H3
InChIKeyBNUSTSSLZFFNIS-UHFFFAOYSA-N
XLogP5.89
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.66
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2,3-dimethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1H-indole-7-carboxamide with MolForge

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Related Compounds

(2,3-dimethyl-1H-indol-7-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 72848556
1-[2-methyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]-3-(pyridin-2-ylmethyl)urea
CID 169302239
N-ethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 46890555
1-[4-[2-(azepan-1-yl)ethoxy]phenyl]propan-2-one
CID 70526687
4-methyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
CID 15137005
N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide
CID 42273986
9-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[2,3-b]indole
CID 155678411
2-[2-hydroxyethyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]ethanol
CID 10990902
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
3-[pyridin-2-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 82329917
5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[4-(2-pyridin-2-ylethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 26280109

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1H-indole-7-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1H-indole-7-carboxamide (CID 26399369) is 2,3-dimethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1H-indole-7-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1H-indole-7-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1H-indole-7-carboxamide is Cc1[nH]c2c(C(=O)N(Cc3ccc(OCCN4CCCCC4)cc3)Cc3ccccn3)cccc2c1C.
What is the InChIKey of 2,3-dimethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1H-indole-7-carboxamide?
The InChIKey is BNUSTSSLZFFNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O2/c1-23-24(2)33-30-28(23)10-8-11-29(30)31(36)35(22-26-9-4-5-16-32-26)21-25-12-14-27(15-13-25)37-20-19-34-17-6-3-7-18-34/h4-5,8-16,33H,3,6-7,17-22H2,1-2H3.
What are the key properties of 2,3-dimethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1H-indole-7-carboxamide?
2,3-dimethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1H-indole-7-carboxamide has a molecular weight of 496.66 g/mol, XLogP of 5.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1H-indole-7-carboxamide is sourced from PubChem (CID 26399369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).