N-[(3-aminocyclohexyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide

C15H24N4O — CID 106123533

IUPACN-[(3-aminocyclohexyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NCC1CCCC(N)C1
InChIInChI=1S/C15H24N4O/c1-3-14-13(7-10(2)18-19-14)15(20)17-9-11-5-4-6-12(16)8-11/h7,11-12H,3-6,8-9,16H2,1-2H3,(H,17,20)
InChIKeySJRBFLJVCKAXPS-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.59
Rot. Bonds4

About N-[(3-aminocyclohexyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide

N-[(3-aminocyclohexyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide (PubChem CID 106123533) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide
PubChem CID106123533
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[(3-aminocyclohexyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NCC1CCCC(N)C1
InChIInChI=1S/C15H24N4O/c1-3-14-13(7-10(2)18-19-14)15(20)17-9-11-5-4-6-12(16)8-11/h7,11-12H,3-6,8-9,16H2,1-2H3,(H,17,20)
InChIKeySJRBFLJVCKAXPS-UHFFFAOYSA-N
XLogP1.59
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide
CID 106123416
N-[(3-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide
CID 106123350
N-[(3-aminocyclohexyl)methyl]-2,4,6-trimethylbenzamide
CID 106123345
3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671356
3-ethyl-6-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridazine-4-carboxamide
CID 104971654
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671254
3-ethyl-N-(3-hydroxycyclobutyl)-6-methylpyridazine-4-carboxamide
CID 113439347
N-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671450
N-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide
CID 106123256
N-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 113439081
N-[(3-aminocyclohexyl)methyl]-4-ethoxybenzamide
CID 106123228
N-[(3-aminocyclohexyl)methyl]-2,4-dimethoxybenzamide
CID 106123339

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide (CID 106123533) is N-[(3-aminocyclohexyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)NCC1CCCC(N)C1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide?
The InChIKey is SJRBFLJVCKAXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-14-13(7-10(2)18-19-14)15(20)17-9-11-5-4-6-12(16)8-11/h7,11-12H,3-6,8-9,16H2,1-2H3,(H,17,20).
What are the key properties of N-[(3-aminocyclohexyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide?
N-[(3-aminocyclohexyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 106123533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).