1-methyl-N'-(1-pyrimidin-2-ylpiperidine-3-carbonyl)indole-3-carbohydrazide

C20H22N6O2 — CID 134034978

IUPAC1-methyl-N'-(1-pyrimidin-2-ylpiperidine-3-carbonyl)indole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)C2CCCN(c3ncccn3)C2)c2ccccc21
InChIInChI=1S/C20H22N6O2/c1-25-13-16(15-7-2-3-8-17(15)25)19(28)24-23-18(27)14-6-4-11-26(12-14)20-21-9-5-10-22-20/h2-3,5,7-10,13-14H,4,6,11-12H2,1H3,(H,23,27)(H,24,28)
InChIKeySTQGTBBAUNNMNL-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.65
Rot. Bonds3

About 1-methyl-N'-(1-pyrimidin-2-ylpiperidine-3-carbonyl)indole-3-carbohydrazide

1-methyl-N'-(1-pyrimidin-2-ylpiperidine-3-carbonyl)indole-3-carbohydrazide (PubChem CID 134034978) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 1-methyl-N'-(1-pyrimidin-2-ylpiperidine-3-carbonyl)indole-3-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-(1-pyrimidin-2-ylpiperidine-3-carbonyl)indole-3-carbohydrazide
PubChem CID134034978
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name1-methyl-N'-(1-pyrimidin-2-ylpiperidine-3-carbonyl)indole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)C2CCCN(c3ncccn3)C2)c2ccccc21
InChIInChI=1S/C20H22N6O2/c1-25-13-16(15-7-2-3-8-17(15)25)19(28)24-23-18(27)14-6-4-11-26(12-14)20-21-9-5-10-22-20/h2-3,5,7-10,13-14H,4,6,11-12H2,1H3,(H,23,27)(H,24,28)
InChIKeySTQGTBBAUNNMNL-UHFFFAOYSA-N
XLogP1.65
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96556781
4-oxo-N'-(1-pyrimidin-2-ylpiperidine-3-carbonyl)-3H-phthalazine-1-carbohydrazide
CID 55578709
(3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide
CID 7435428
1-methyl-N'-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]indole-3-carbohydrazide
CID 17476809
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
(3R)-1-(1-methylindole-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 52514561
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
1-methyl-N'-[1-(2-nitrophenyl)piperidine-4-carbonyl]indole-3-carbohydrazide
CID 40717460
N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide
CID 55576324
N-[(1-methylpyrrol-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 71703277
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N'-(1-pyrimidin-2-ylpiperidine-3-carbonyl)indole-3-carbohydrazide?
The IUPAC name of 1-methyl-N'-(1-pyrimidin-2-ylpiperidine-3-carbonyl)indole-3-carbohydrazide (CID 134034978) is 1-methyl-N'-(1-pyrimidin-2-ylpiperidine-3-carbonyl)indole-3-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-(1-pyrimidin-2-ylpiperidine-3-carbonyl)indole-3-carbohydrazide?
The canonical SMILES for 1-methyl-N'-(1-pyrimidin-2-ylpiperidine-3-carbonyl)indole-3-carbohydrazide is Cn1cc(C(=O)NNC(=O)C2CCCN(c3ncccn3)C2)c2ccccc21.
What is the InChIKey of 1-methyl-N'-(1-pyrimidin-2-ylpiperidine-3-carbonyl)indole-3-carbohydrazide?
The InChIKey is STQGTBBAUNNMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-25-13-16(15-7-2-3-8-17(15)25)19(28)24-23-18(27)14-6-4-11-26(12-14)20-21-9-5-10-22-20/h2-3,5,7-10,13-14H,4,6,11-12H2,1H3,(H,23,27)(H,24,28).
What are the key properties of 1-methyl-N'-(1-pyrimidin-2-ylpiperidine-3-carbonyl)indole-3-carbohydrazide?
1-methyl-N'-(1-pyrimidin-2-ylpiperidine-3-carbonyl)indole-3-carbohydrazide has a molecular weight of 378.44 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-(1-pyrimidin-2-ylpiperidine-3-carbonyl)indole-3-carbohydrazide is sourced from PubChem (CID 134034978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).