5,6-dimethoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide

C17H17N3O3 — CID 7678004

IUPAC5,6-dimethoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)NCc3ccccn3)[nH]c2cc1OC
InChIInChI=1S/C17H17N3O3/c1-22-15-8-11-7-14(20-13(11)9-16(15)23-2)17(21)19-10-12-5-3-4-6-18-12/h3-9,20H,10H2,1-2H3,(H,19,21)
InChIKeyMLFIXJUDSPUFHQ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.51
Rot. Bonds5

About 5,6-dimethoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide

5,6-dimethoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 7678004) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5,6-dimethoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5,6-dimethoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
PubChem CID7678004
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name5,6-dimethoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)NCc3ccccn3)[nH]c2cc1OC
InChIInChI=1S/C17H17N3O3/c1-22-15-8-11-7-14(20-13(11)9-16(15)23-2)17(21)19-10-12-5-3-4-6-18-12/h3-9,20H,10H2,1-2H3,(H,19,21)
InChIKeyMLFIXJUDSPUFHQ-UHFFFAOYSA-N
XLogP2.51
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
CID 110851880
N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride
CID 44664335
methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]acetate;hydrochloride
CID 44663549
2,5-dimethoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110763244
N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9270219
5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110761323
5,6-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide
CID 71827682
2-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 4225926
methyl N-methyl-5-[5-methyl-2-(pyridin-2-ylmethylcarbamoyl)-1H-imidazol-4-yl]-1H-indole-2-carboximidate
CID 143976758
1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 971285
5-acetamido-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110764476
5-chloro-2-methoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110762042

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5,6-dimethoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide (CID 7678004) is 5,6-dimethoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5,6-dimethoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5,6-dimethoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide is COc1cc2cc(C(=O)NCc3ccccn3)[nH]c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is MLFIXJUDSPUFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-22-15-8-11-7-14(20-13(11)9-16(15)23-2)17(21)19-10-12-5-3-4-6-18-12/h3-9,20H,10H2,1-2H3,(H,19,21).
What are the key properties of 5,6-dimethoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide?
5,6-dimethoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 7678004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).