2-[4-(aminomethyl)cyclohexyl]-3-oxo-6-phenylpyridazine-4-carboxamide

C18H22N4O2 — CID 143706047

IUPAC2-[4-(aminomethyl)cyclohexyl]-3-oxo-6-phenylpyridazine-4-carboxamide
SMILESNCC1CCC(n2nc(-c3ccccc3)cc(C(N)=O)c2=O)CC1
InChIInChI=1S/C18H22N4O2/c19-11-12-6-8-14(9-7-12)22-18(24)15(17(20)23)10-16(21-22)13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11,19H2,(H2,20,23)
InChIKeyWIXPWDDAXQKUEK-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.70
Rot. Bonds4

About 2-[4-(aminomethyl)cyclohexyl]-3-oxo-6-phenylpyridazine-4-carboxamide

2-[4-(aminomethyl)cyclohexyl]-3-oxo-6-phenylpyridazine-4-carboxamide (PubChem CID 143706047) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[4-(aminomethyl)cyclohexyl]-3-oxo-6-phenylpyridazine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)cyclohexyl]-3-oxo-6-phenylpyridazine-4-carboxamide
PubChem CID143706047
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-[4-(aminomethyl)cyclohexyl]-3-oxo-6-phenylpyridazine-4-carboxamide
SMILESNCC1CCC(n2nc(-c3ccccc3)cc(C(N)=O)c2=O)CC1
InChIInChI=1S/C18H22N4O2/c19-11-12-6-8-14(9-7-12)22-18(24)15(17(20)23)10-16(21-22)13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11,19H2,(H2,20,23)
InChIKeyWIXPWDDAXQKUEK-UHFFFAOYSA-N
XLogP1.70
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-oxo-6-phenylpyridazine-4-carbohydrazide
CID 69095899
6-phenylimidazo[1,2-b]pyridazine-8-carboxamide
CID 173082781
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-cyclopropyl-3-oxo-6-phenylpyridazine-4-carboxamide;formic acid
CID 71184753
1-cyclobutyl-3-phenylpyrazol-5-amine
CID 56604603
N-(1-cyclopropyl-3-phenylpyrazol-5-yl)bicyclo[1.1.0]butane-1-carboxamide
CID 167934599
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-(1-oxidopyridin-1-ium-3-yl)-3-oxopyridazine-4-carboxylic acid
CID 123351477
2-(carboxymethyl)-3-oxo-6-phenylpyridazine-4-carboxylic acid
CID 10061871
4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one;chlorobenzene
CID 143705954
2-phenylimidazo[1,2-b]pyridazine-6,8-dicarboxamide
CID 172825282
6-phenyl-2-piperidin-4-ylpyridazin-3-one
CID 82105182
ethyl 2-[4-(3-chlorophenyl)-4-methylcyclohexyl]-3-oxo-6-pyridin-3-ylpyridazine-4-carboxylate
CID 70296708
2-butyl-3-oxo-6-phenylpyridazine-4-carbothioamide
CID 82447022

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-3-oxo-6-phenylpyridazine-4-carboxamide?
The IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-3-oxo-6-phenylpyridazine-4-carboxamide (CID 143706047) is 2-[4-(aminomethyl)cyclohexyl]-3-oxo-6-phenylpyridazine-4-carboxamide.
What is the SMILES notation for 2-[4-(aminomethyl)cyclohexyl]-3-oxo-6-phenylpyridazine-4-carboxamide?
The canonical SMILES for 2-[4-(aminomethyl)cyclohexyl]-3-oxo-6-phenylpyridazine-4-carboxamide is NCC1CCC(n2nc(-c3ccccc3)cc(C(N)=O)c2=O)CC1.
What is the InChIKey of 2-[4-(aminomethyl)cyclohexyl]-3-oxo-6-phenylpyridazine-4-carboxamide?
The InChIKey is WIXPWDDAXQKUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c19-11-12-6-8-14(9-7-12)22-18(24)15(17(20)23)10-16(21-22)13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11,19H2,(H2,20,23).
What are the key properties of 2-[4-(aminomethyl)cyclohexyl]-3-oxo-6-phenylpyridazine-4-carboxamide?
2-[4-(aminomethyl)cyclohexyl]-3-oxo-6-phenylpyridazine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)cyclohexyl]-3-oxo-6-phenylpyridazine-4-carboxamide is sourced from PubChem (CID 143706047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).