N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C14H23N3O3 — CID 115701209

IUPACN-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCC2(CO)CCCCC2)CCC1=O
InChIInChI=1S/C14H23N3O3/c1-17-12(19)6-5-11(16-17)13(20)15-9-14(10-18)7-3-2-4-8-14/h18H,2-10H2,1H3,(H,15,20)
InChIKeyMSBFIPFYWCCANZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.65
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 115701209) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID115701209
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCC2(CO)CCCCC2)CCC1=O
InChIInChI=1S/C14H23N3O3/c1-17-12(19)6-5-11(16-17)13(20)15-9-14(10-18)7-3-2-4-8-14/h18H,2-10H2,1H3,(H,15,20)
InChIKeyMSBFIPFYWCCANZ-UHFFFAOYSA-N
XLogP0.65
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide
CID 47014189
1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43169409
3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
CID 43170671
1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65450800
1-methyl-6-oxo-N-pentyl-4,5-dihydropyridazine-3-carboxamide
CID 30384665
1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 24540154
2-methoxy-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
CID 106107690
4,4-dimethyl-2-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]pentanoic acid
CID 107473792
N-(2-hydroxy-2-methylpentyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 113246026
(2R)-4-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
CID 114004932
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide
CID 113294452
methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
CID 110292599

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 115701209) is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)NCC2(CO)CCCCC2)CCC1=O.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is MSBFIPFYWCCANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-17-12(19)6-5-11(16-17)13(20)15-9-14(10-18)7-3-2-4-8-14/h18H,2-10H2,1H3,(H,15,20).
What are the key properties of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 115701209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).