N-cyclohexyl-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide

C18H22N4O2 — CID 46969467

IUPACN-cyclohexyl-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)N(Cc2cccnc2)C2CCCCC2)ccc1=O
InChIInChI=1S/C18H22N4O2/c1-21-17(23)10-9-16(20-21)18(24)22(15-7-3-2-4-8-15)13-14-6-5-11-19-12-14/h5-6,9-12,15H,2-4,7-8,13H2,1H3
InChIKeyNRAXJBTXSVJIES-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.15
Rot. Bonds4

About N-cyclohexyl-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide

N-cyclohexyl-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide (PubChem CID 46969467) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-cyclohexyl-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
PubChem CID46969467
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-cyclohexyl-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)N(Cc2cccnc2)C2CCCCC2)ccc1=O
InChIInChI=1S/C18H22N4O2/c1-21-17(23)10-9-16(20-21)18(24)22(15-7-3-2-4-8-15)13-14-6-5-11-19-12-14/h5-6,9-12,15H,2-4,7-8,13H2,1H3
InChIKeyNRAXJBTXSVJIES-UHFFFAOYSA-N
XLogP2.15
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 77082758
2-ethyl-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 46957416
4-[cyclohexyl(pyridin-3-ylmethyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 77095410
N-cyclohexyl-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide
CID 118779766
1-cyclohexyl-3-(1-methylbenzimidazol-5-yl)-1-(pyridin-3-ylmethyl)urea
CID 118795485
N-cyclopentyl-1-methyl-6-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridazine-3-carboxamide
CID 121020218
2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid
CID 46993000
2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one
CID 74249642
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 24732544
N-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 78852401

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide (CID 46969467) is N-cyclohexyl-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide is Cn1nc(C(=O)N(Cc2cccnc2)C2CCCCC2)ccc1=O.
What is the InChIKey of N-cyclohexyl-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is NRAXJBTXSVJIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-21-17(23)10-9-16(20-21)18(24)22(15-7-3-2-4-8-15)13-14-6-5-11-19-12-14/h5-6,9-12,15H,2-4,7-8,13H2,1H3.
What are the key properties of N-cyclohexyl-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
N-cyclohexyl-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 46969467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).