N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

C14H21N3O3 — CID 65119501

IUPACN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C14H21N3O3/c1-13(2)5-7-14(20,8-6-13)9-15-12(19)10-3-4-11(18)17-16-10/h3-4,20H,5-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyKGYYEEGOOSDSDY-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.83
Rot. Bonds3

About N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 65119501) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID65119501
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C14H21N3O3/c1-13(2)5-7-14(20,8-6-13)9-15-12(19)10-3-4-11(18)17-16-10/h3-4,20H,5-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyKGYYEEGOOSDSDY-UHFFFAOYSA-N
XLogP0.83
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 65119501) is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is CC1(C)CCC(O)(CNC(=O)c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is KGYYEEGOOSDSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-13(2)5-7-14(20,8-6-13)9-15-12(19)10-3-4-11(18)17-16-10/h3-4,20H,5-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 65119501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).