N-cyclohexyl-1-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C21H28N4O — CID 74232119

IUPACN-cyclohexyl-1-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCn1nc(C(=O)N(Cc2ccccn2)C2CCCCC2)c2c1CCCC2
InChIInChI=1S/C21H28N4O/c1-24-19-13-6-5-12-18(19)20(23-24)21(26)25(17-10-3-2-4-11-17)15-16-9-7-8-14-22-16/h7-9,14,17H,2-6,10-13,15H2,1H3
InChIKeyNJSOMGUWAFWPSE-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.67
Rot. Bonds4

About N-cyclohexyl-1-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

N-cyclohexyl-1-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 74232119) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-cyclohexyl-1-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID74232119
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-cyclohexyl-1-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCn1nc(C(=O)N(Cc2ccccn2)C2CCCCC2)c2c1CCCC2
InChIInChI=1S/C21H28N4O/c1-24-19-13-6-5-12-18(19)20(23-24)21(26)25(17-10-3-2-4-11-17)15-16-9-7-8-14-22-16/h7-9,14,17H,2-6,10-13,15H2,1H3
InChIKeyNJSOMGUWAFWPSE-UHFFFAOYSA-N
XLogP3.67
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 74234463
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
CID 126777867
N-cyclopentyl-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46970583
N-benzyl-N-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389010
1-cyclopropyl-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(pyridin-2-ylmethyl)urea
CID 94172067
N-cyclohexyl-2-(5-phenyltetrazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46974306
N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 42796220
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
N-cyclopropyl-1-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 47850677
(2S)-N-cyclohexyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 97201502
2-amino-N-cyclopropyl-6-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 61113549
N,1-dimethyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 136566796

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 74232119) is N-cyclohexyl-1-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is Cn1nc(C(=O)N(Cc2ccccn2)C2CCCCC2)c2c1CCCC2.
What is the InChIKey of N-cyclohexyl-1-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is NJSOMGUWAFWPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-24-19-13-6-5-12-18(19)20(23-24)21(26)25(17-10-3-2-4-11-17)15-16-9-7-8-14-22-16/h7-9,14,17H,2-6,10-13,15H2,1H3.
What are the key properties of N-cyclohexyl-1-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
N-cyclohexyl-1-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 74232119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).