3-methyl-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)butanamide

C17H22N4O — CID 110225912

IUPAC3-methyl-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
SMILESCC(C)CC(=O)NC1CCCc2c1cnn2-c1ccccn1
InChIInChI=1S/C17H22N4O/c1-12(2)10-17(22)20-14-6-5-7-15-13(14)11-19-21(15)16-8-3-4-9-18-16/h3-4,8-9,11-12,14H,5-7,10H2,1-2H3,(H,20,22)
InChIKeyZEMOVWQKVKWGNV-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.81
Rot. Bonds4

About 3-methyl-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)butanamide

3-methyl-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)butanamide (PubChem CID 110225912) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-methyl-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
PubChem CID110225912
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name3-methyl-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
SMILESCC(C)CC(=O)NC1CCCc2c1cnn2-c1ccccn1
InChIInChI=1S/C17H22N4O/c1-12(2)10-17(22)20-14-6-5-7-15-13(14)11-19-21(15)16-8-3-4-9-18-16/h3-4,8-9,11-12,14H,5-7,10H2,1-2H3,(H,20,22)
InChIKeyZEMOVWQKVKWGNV-UHFFFAOYSA-N
XLogP2.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butanamide
CID 95857278
5-(2-methylpropyl)-N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-3-carboxamide
CID 97142495
2-(5-methylpyrazol-1-yl)-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 56731383
3-(2-methyl-6-oxo-1-pyridinyl)-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 72895125
1-ethyl-3-propan-2-yl-N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
CID 97118953
N-ethyl-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356388
2,2-dimethyl-3-[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol
CID 45210671
1-ethyl-N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384965
3-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide
CID 95384792
1,5-dimethyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384756
4-methyl-N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiadiazole-5-carboxamide
CID 95202854
5-chloro-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384778

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)butanamide?
The IUPAC name of 3-methyl-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)butanamide (CID 110225912) is 3-methyl-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)butanamide?
The canonical SMILES for 3-methyl-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)butanamide is CC(C)CC(=O)NC1CCCc2c1cnn2-c1ccccn1.
What is the InChIKey of 3-methyl-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)butanamide?
The InChIKey is ZEMOVWQKVKWGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12(2)10-17(22)20-14-6-5-7-15-13(14)11-19-21(15)16-8-3-4-9-18-16/h3-4,8-9,11-12,14H,5-7,10H2,1-2H3,(H,20,22).
What are the key properties of 3-methyl-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)butanamide?
3-methyl-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)butanamide has a molecular weight of 298.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)butanamide is sourced from PubChem (CID 110225912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).