3-methyl-4-oxo-N'-(pyridine-3-carbonyl)-1,5,6,7-tetrahydroindole-2-carbohydrazide

C16H16N4O3 — CID 35016480

IUPAC3-methyl-4-oxo-N'-(pyridine-3-carbonyl)-1,5,6,7-tetrahydroindole-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2cccnc2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C16H16N4O3/c1-9-13-11(5-2-6-12(13)21)18-14(9)16(23)20-19-15(22)10-4-3-7-17-8-10/h3-4,7-8,18H,2,5-6H2,1H3,(H,19,22)(H,20,23)
InChIKeyRYQBMDMAMRWBNB-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.31
Rot. Bonds2

About 3-methyl-4-oxo-N'-(pyridine-3-carbonyl)-1,5,6,7-tetrahydroindole-2-carbohydrazide

3-methyl-4-oxo-N'-(pyridine-3-carbonyl)-1,5,6,7-tetrahydroindole-2-carbohydrazide (PubChem CID 35016480) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 3-methyl-4-oxo-N'-(pyridine-3-carbonyl)-1,5,6,7-tetrahydroindole-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-4-oxo-N'-(pyridine-3-carbonyl)-1,5,6,7-tetrahydroindole-2-carbohydrazide
PubChem CID35016480
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name3-methyl-4-oxo-N'-(pyridine-3-carbonyl)-1,5,6,7-tetrahydroindole-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2cccnc2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C16H16N4O3/c1-9-13-11(5-2-6-12(13)21)18-14(9)16(23)20-19-15(22)10-4-3-7-17-8-10/h3-4,7-8,18H,2,5-6H2,1H3,(H,19,22)(H,20,23)
InChIKeyRYQBMDMAMRWBNB-UHFFFAOYSA-N
XLogP1.31
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclobutyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 166191316
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 51275522
N'-[4-(dimethylamino)benzoyl]pyridine-3-carbohydrazide
CID 25342800
trimethyl-(pyridine-3-carbonylamino)azanium
CID 177120197
N-[4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 47014543
cis-(1R,3S)-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678843
3-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 55958332
N-methylpyridine-3-carboxamide chloride
CID 20976730
N'-(4-iodobenzoyl)pyridine-3-carbohydrazide
CID 19166393
N'-(2-amino-2-methylpropanoyl)pyridine-3-carbohydrazide
CID 67519841
2,3-dimethyl-N'-(pyridine-3-carbonyl)quinoxaline-6-carbohydrazide
CID 39966213
N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-3-carbohydrazide
CID 2858266

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N'-(pyridine-3-carbonyl)-1,5,6,7-tetrahydroindole-2-carbohydrazide?
The IUPAC name of 3-methyl-4-oxo-N'-(pyridine-3-carbonyl)-1,5,6,7-tetrahydroindole-2-carbohydrazide (CID 35016480) is 3-methyl-4-oxo-N'-(pyridine-3-carbonyl)-1,5,6,7-tetrahydroindole-2-carbohydrazide.
What is the SMILES notation for 3-methyl-4-oxo-N'-(pyridine-3-carbonyl)-1,5,6,7-tetrahydroindole-2-carbohydrazide?
The canonical SMILES for 3-methyl-4-oxo-N'-(pyridine-3-carbonyl)-1,5,6,7-tetrahydroindole-2-carbohydrazide is Cc1c(C(=O)NNC(=O)c2cccnc2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 3-methyl-4-oxo-N'-(pyridine-3-carbonyl)-1,5,6,7-tetrahydroindole-2-carbohydrazide?
The InChIKey is RYQBMDMAMRWBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-9-13-11(5-2-6-12(13)21)18-14(9)16(23)20-19-15(22)10-4-3-7-17-8-10/h3-4,7-8,18H,2,5-6H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 3-methyl-4-oxo-N'-(pyridine-3-carbonyl)-1,5,6,7-tetrahydroindole-2-carbohydrazide?
3-methyl-4-oxo-N'-(pyridine-3-carbonyl)-1,5,6,7-tetrahydroindole-2-carbohydrazide has a molecular weight of 312.33 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N'-(pyridine-3-carbonyl)-1,5,6,7-tetrahydroindole-2-carbohydrazide is sourced from PubChem (CID 35016480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).