2-(1H-indol-4-yl)-1-methyl-2H-pyridine-3,5-dicarboxamide

C16H16N4O2 — CID 126648772

IUPAC2-(1H-indol-4-yl)-1-methyl-2H-pyridine-3,5-dicarboxamide
SMILESCN1C=C(C(N)=O)C=C(C(N)=O)C1c1cccc2[nH]ccc12
InChIInChI=1S/C16H16N4O2/c1-20-8-9(15(17)21)7-12(16(18)22)14(20)11-3-2-4-13-10(11)5-6-19-13/h2-8,14,19H,1H3,(H2,17,21)(H2,18,22)
InChIKeyCMHWIUWFELCOFL-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.94
Rot. Bonds3

About 2-(1H-indol-4-yl)-1-methyl-2H-pyridine-3,5-dicarboxamide

2-(1H-indol-4-yl)-1-methyl-2H-pyridine-3,5-dicarboxamide (PubChem CID 126648772) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(1H-indol-4-yl)-1-methyl-2H-pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(1H-indol-4-yl)-1-methyl-2H-pyridine-3,5-dicarboxamide
PubChem CID126648772
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-(1H-indol-4-yl)-1-methyl-2H-pyridine-3,5-dicarboxamide
SMILESCN1C=C(C(N)=O)C=C(C(N)=O)C1c1cccc2[nH]ccc12
InChIInChI=1S/C16H16N4O2/c1-20-8-9(15(17)21)7-12(16(18)22)14(20)11-3-2-4-13-10(11)5-6-19-13/h2-8,14,19H,1H3,(H2,17,21)(H2,18,22)
InChIKeyCMHWIUWFELCOFL-UHFFFAOYSA-N
XLogP0.94
TPSA105.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-indol-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 175472959
N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide
CID 115674677
1-amino-1-(1H-indol-4-yl)propan-2-one
CID 55270275
1H-indole-4-carbonyl bromide
CID 175285982
1H-indole-4-carboxylate
CID 6951562
(3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone
CID 65245171
1H-indole-4-carbohydrazide
CID 43316644
1H-indol-4-ol
CID 102220556
(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol
CID 55273031
[3-(1-aminoethyl)pyrrolidin-1-yl]-(1H-indol-4-yl)methanone
CID 103975888
N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide
CID 102907617
1-(1H-indol-4-yl)-1-sulfanylurea
CID 87497288

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-4-yl)-1-methyl-2H-pyridine-3,5-dicarboxamide?
The IUPAC name of 2-(1H-indol-4-yl)-1-methyl-2H-pyridine-3,5-dicarboxamide (CID 126648772) is 2-(1H-indol-4-yl)-1-methyl-2H-pyridine-3,5-dicarboxamide.
What is the SMILES notation for 2-(1H-indol-4-yl)-1-methyl-2H-pyridine-3,5-dicarboxamide?
The canonical SMILES for 2-(1H-indol-4-yl)-1-methyl-2H-pyridine-3,5-dicarboxamide is CN1C=C(C(N)=O)C=C(C(N)=O)C1c1cccc2[nH]ccc12.
What is the InChIKey of 2-(1H-indol-4-yl)-1-methyl-2H-pyridine-3,5-dicarboxamide?
The InChIKey is CMHWIUWFELCOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-20-8-9(15(17)21)7-12(16(18)22)14(20)11-3-2-4-13-10(11)5-6-19-13/h2-8,14,19H,1H3,(H2,17,21)(H2,18,22).
What are the key properties of 2-(1H-indol-4-yl)-1-methyl-2H-pyridine-3,5-dicarboxamide?
2-(1H-indol-4-yl)-1-methyl-2H-pyridine-3,5-dicarboxamide has a molecular weight of 296.33 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-4-yl)-1-methyl-2H-pyridine-3,5-dicarboxamide is sourced from PubChem (CID 126648772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).