6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide

C17H17N3O2 — CID 113205416

IUPAC6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)NCc3ccncc3)[nH]c2c1
InChIInChI=1S/C17H17N3O2/c1-11-14-4-3-13(22-2)9-15(14)20-16(11)17(21)19-10-12-5-7-18-8-6-12/h3-9,20H,10H2,1-2H3,(H,19,21)
InChIKeyQUMPGNSCECPFFW-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.81
Rot. Bonds4

About 6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide

6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 113205416) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
PubChem CID113205416
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)NCc3ccncc3)[nH]c2c1
InChIInChI=1S/C17H17N3O2/c1-11-14-4-3-13(22-2)9-15(14)20-16(11)17(21)19-10-12-5-7-18-8-6-12/h3-9,20H,10H2,1-2H3,(H,19,21)
InChIKeyQUMPGNSCECPFFW-UHFFFAOYSA-N
XLogP2.81
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide
CID 113205411
N-(furan-2-ylmethyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113205399
3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 113204984
N-benzyl-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513803
6-methoxy-N-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513808
N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1H-indole-2-carboxamide
CID 113204978
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole-2-carboxamide
CID 113205294
6-methoxy-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 22513802
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 110763497
N-(3-acetylphenyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113205511
6-methoxy-3-methyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 113205504
6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide
CID 172892804

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide (CID 113205416) is 6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide is COc1ccc2c(C)c(C(=O)NCc3ccncc3)[nH]c2c1.
What is the InChIKey of 6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is QUMPGNSCECPFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-14-4-3-13(22-2)9-15(14)20-16(11)17(21)19-10-12-5-7-18-8-6-12/h3-9,20H,10H2,1-2H3,(H,19,21).
What are the key properties of 6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide?
6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 113205416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).