1-benzyl-6-methoxy-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide

C26H27N3O2 — CID 123570891

IUPAC1-benzyl-6-methoxy-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)NCc3cccnc3)c(C(C)C)n(Cc3ccccc3)c2c1
InChIInChI=1S/C26H27N3O2/c1-18(2)25-24(26(30)28-16-20-10-7-13-27-15-20)22-12-11-21(31-3)14-23(22)29(25)17-19-8-5-4-6-9-19/h4-15,18H,16-17H2,1-3H3,(H,28,30)
InChIKeyZEPNLRCVDAMNAK-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.15
Rot. Bonds7

About 1-benzyl-6-methoxy-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide

1-benzyl-6-methoxy-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide (PubChem CID 123570891) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-benzyl-6-methoxy-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-6-methoxy-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide
PubChem CID123570891
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name1-benzyl-6-methoxy-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)NCc3cccnc3)c(C(C)C)n(Cc3ccccc3)c2c1
InChIInChI=1S/C26H27N3O2/c1-18(2)25-24(26(30)28-16-20-10-7-13-27-15-20)22-12-11-21(31-3)14-23(22)29(25)17-19-8-5-4-6-9-19/h4-15,18H,16-17H2,1-3H3,(H,28,30)
InChIKeyZEPNLRCVDAMNAK-UHFFFAOYSA-N
XLogP5.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-6-methoxy-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hexoxy-2-propan-2-ylindole-3-carboxamide
CID 25059747
1-benzyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-hexoxy-2-propan-2-ylindole-3-carboxamide
CID 91099234
9-benzyl-7-methoxypyrido[3,4-b]indole
CID 68940620
1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-methyl-2-propan-2-ylindole-3-carboxamide
CID 59762391
3-propanoyl-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-6-carboxylic acid
CID 69226157
6-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide
CID 59762430
1-acetyl-5-methoxy-N-(pyridin-3-ylmethyl)indole-3-carboxamide
CID 113212725
N-[(3,4-difluorophenyl)methyl]-6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide
CID 59762317
1-benzyl-3-N-[(3,4-difluorophenyl)methyl]-6-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-2-propan-2-ylindole-3,6-dicarboxamide
CID 69225406
1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropanoylamino)-2-propan-2-ylindole-3-carboxamide
CID 59762286
1-(4-chlorophenyl)-3-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42818370
6-[[7-methoxy-4-(1-methoxynaphthalen-2-yl)-2-oxoquinolin-1-yl]methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 139956895

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-methoxy-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide?
The IUPAC name of 1-benzyl-6-methoxy-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide (CID 123570891) is 1-benzyl-6-methoxy-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide.
What is the SMILES notation for 1-benzyl-6-methoxy-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide?
The canonical SMILES for 1-benzyl-6-methoxy-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide is COc1ccc2c(C(=O)NCc3cccnc3)c(C(C)C)n(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-6-methoxy-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide?
The InChIKey is ZEPNLRCVDAMNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-18(2)25-24(26(30)28-16-20-10-7-13-27-15-20)22-12-11-21(31-3)14-23(22)29(25)17-19-8-5-4-6-9-19/h4-15,18H,16-17H2,1-3H3,(H,28,30).
What are the key properties of 1-benzyl-6-methoxy-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide?
1-benzyl-6-methoxy-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-methoxy-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide is sourced from PubChem (CID 123570891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).