1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide

C17H17N3O — CID 112530368

IUPAC1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide
SMILESCn1ccc2ccc(C(=O)NCCc3cccnc3)cc21
InChIInChI=1S/C17H17N3O/c1-20-10-7-14-4-5-15(11-16(14)20)17(21)19-9-6-13-3-2-8-18-12-13/h2-5,7-8,10-12H,6,9H2,1H3,(H,19,21)
InChIKeyAVVWJCFYVXVHCK-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.55
Rot. Bonds4

About 1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide

1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide (PubChem CID 112530368) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide
PubChem CID112530368
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide
SMILESCn1ccc2ccc(C(=O)NCCc3cccnc3)cc21
InChIInChI=1S/C17H17N3O/c1-20-10-7-14-4-5-15(11-16(14)20)17(21)19-9-6-13-3-2-8-18-12-13/h2-5,7-8,10-12H,6,9H2,1H3,(H,19,21)
InChIKeyAVVWJCFYVXVHCK-UHFFFAOYSA-N
XLogP2.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 67386076
3-methyl-4-(methylamino)-N-(2-pyridin-3-ylethyl)benzamide
CID 63210322
1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide
CID 112530174
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
3-(aminomethyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 60895534
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-methylindole-6-carboxamide
CID 112529886
1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24661254
4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104782485
2-bromo-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 103752224
6-(2-methoxypyrimidin-5-yl)-N-(2-pyridin-3-ylethyl)naphthalene-2-carboxamide
CID 172656290
1-ethyl-2,3-dioxo-N-(2-pyridin-3-ylethyl)-4H-quinoxaline-6-carboxamide
CID 39560436

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide?
The IUPAC name of 1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide (CID 112530368) is 1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide?
The canonical SMILES for 1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide is Cn1ccc2ccc(C(=O)NCCc3cccnc3)cc21.
What is the InChIKey of 1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide?
The InChIKey is AVVWJCFYVXVHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-20-10-7-14-4-5-15(11-16(14)20)17(21)19-9-6-13-3-2-8-18-12-13/h2-5,7-8,10-12H,6,9H2,1H3,(H,19,21).
What are the key properties of 1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide?
1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide is sourced from PubChem (CID 112530368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).