2-methyl-1-(pyridin-3-ylmethyl)indole-3-carbohydrazide

C16H16N4O — CID 91690120

IUPAC2-methyl-1-(pyridin-3-ylmethyl)indole-3-carbohydrazide
SMILESCc1c(C(=O)NN)c2ccccc2n1Cc1cccnc1
InChIInChI=1S/C16H16N4O/c1-11-15(16(21)19-17)13-6-2-3-7-14(13)20(11)10-12-5-4-8-18-9-12/h2-9H,10,17H2,1H3,(H,19,21)
InChIKeyCPSBSQXKKISJGV-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.00
Rot. Bonds3

About 2-methyl-1-(pyridin-3-ylmethyl)indole-3-carbohydrazide

2-methyl-1-(pyridin-3-ylmethyl)indole-3-carbohydrazide (PubChem CID 91690120) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-methyl-1-(pyridin-3-ylmethyl)indole-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-1-(pyridin-3-ylmethyl)indole-3-carbohydrazide
PubChem CID91690120
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-methyl-1-(pyridin-3-ylmethyl)indole-3-carbohydrazide
SMILESCc1c(C(=O)NN)c2ccccc2n1Cc1cccnc1
InChIInChI=1S/C16H16N4O/c1-11-15(16(21)19-17)13-6-2-3-7-14(13)20(11)10-12-5-4-8-18-9-12/h2-9H,10,17H2,1H3,(H,19,21)
InChIKeyCPSBSQXKKISJGV-UHFFFAOYSA-N
XLogP2.00
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carbohydrazide
CID 91690132
4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide
CID 135563908
1-methyl-9-(pyridin-3-ylmethyl)pyrido[3,4-b]indole
CID 156780758
[3-octadecanoyl-1-(pyridin-3-ylmethyl)indol-2-yl] hydrogen carbonate
CID 67810629
4-acetamido-2-methyl-6-oxo-N-phenyl-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 91310443
2-methyl-1-[(3-methylphenyl)methyl]indole-3-carboxylic acid
CID 91690082
2-[5-methoxy-2-methyl-1-(pyridin-3-ylmethyl)indol-3-yl]acetic acid
CID 23368789
3-(2-fluorophenyl)-1-(pyridin-3-ylmethyl)indole-2-carboxylic acid
CID 71592126
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46357211
2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carboxamide
CID 91690131
ethyl 5-methyl-4-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxylate
CID 83233129
ethyl 3-[2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]propanoate
CID 71063711

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(pyridin-3-ylmethyl)indole-3-carbohydrazide?
The IUPAC name of 2-methyl-1-(pyridin-3-ylmethyl)indole-3-carbohydrazide (CID 91690120) is 2-methyl-1-(pyridin-3-ylmethyl)indole-3-carbohydrazide.
What is the SMILES notation for 2-methyl-1-(pyridin-3-ylmethyl)indole-3-carbohydrazide?
The canonical SMILES for 2-methyl-1-(pyridin-3-ylmethyl)indole-3-carbohydrazide is Cc1c(C(=O)NN)c2ccccc2n1Cc1cccnc1.
What is the InChIKey of 2-methyl-1-(pyridin-3-ylmethyl)indole-3-carbohydrazide?
The InChIKey is CPSBSQXKKISJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-15(16(21)19-17)13-6-2-3-7-14(13)20(11)10-12-5-4-8-18-9-12/h2-9H,10,17H2,1H3,(H,19,21).
What are the key properties of 2-methyl-1-(pyridin-3-ylmethyl)indole-3-carbohydrazide?
2-methyl-1-(pyridin-3-ylmethyl)indole-3-carbohydrazide has a molecular weight of 280.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(pyridin-3-ylmethyl)indole-3-carbohydrazide is sourced from PubChem (CID 91690120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).