N-(1-hydroxy-2-phenylpropan-2-yl)-3,6-dimethylpyridazine-4-carboxamide

C16H19N3O2 — CID 105058784

IUPACN-(1-hydroxy-2-phenylpropan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)(CO)c2ccccc2)c(C)nn1
InChIInChI=1S/C16H19N3O2/c1-11-9-14(12(2)19-18-11)15(21)17-16(3,10-20)13-7-5-4-6-8-13/h4-9,20H,10H2,1-3H3,(H,17,21)
InChIKeyPMQNEMIRCGNROB-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.73
Rot. Bonds4

About N-(1-hydroxy-2-phenylpropan-2-yl)-3,6-dimethylpyridazine-4-carboxamide

N-(1-hydroxy-2-phenylpropan-2-yl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 105058784) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(1-hydroxy-2-phenylpropan-2-yl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-phenylpropan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID105058784
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(1-hydroxy-2-phenylpropan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)(CO)c2ccccc2)c(C)nn1
InChIInChI=1S/C16H19N3O2/c1-11-9-14(12(2)19-18-11)15(21)17-16(3,10-20)13-7-5-4-6-8-13/h4-9,20H,10H2,1-3H3,(H,17,21)
InChIKeyPMQNEMIRCGNROB-UHFFFAOYSA-N
XLogP1.73
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-N-(1-hydroxy-2-phenylpropan-2-yl)pyridazine-4-carboxamide
CID 105058953
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3,6-dimethylpyridazine-4-carboxamide
CID 113434978
ethyl 5-[(1-hydroxy-2-phenylpropan-2-yl)carbamoyl]-6-methylpyridine-3-carboxylate
CID 167976323
N-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide
CID 105058775
5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide
CID 105057681
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
N-(1-hydroxy-2-phenylpropan-2-yl)pyridine-2-carboxamide
CID 105059023
3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105057637
4-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
CID 105057664
3,6-dimethyl-N-(2-methylbut-3-yn-2-yl)pyridazine-4-carboxamide
CID 115877389
N-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide
CID 105059720
3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide
CID 105058932

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-phenylpropan-2-yl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(1-hydroxy-2-phenylpropan-2-yl)-3,6-dimethylpyridazine-4-carboxamide (CID 105058784) is N-(1-hydroxy-2-phenylpropan-2-yl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-phenylpropan-2-yl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-phenylpropan-2-yl)-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)NC(C)(CO)c2ccccc2)c(C)nn1.
What is the InChIKey of N-(1-hydroxy-2-phenylpropan-2-yl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is PMQNEMIRCGNROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-9-14(12(2)19-18-11)15(21)17-16(3,10-20)13-7-5-4-6-8-13/h4-9,20H,10H2,1-3H3,(H,17,21).
What are the key properties of N-(1-hydroxy-2-phenylpropan-2-yl)-3,6-dimethylpyridazine-4-carboxamide?
N-(1-hydroxy-2-phenylpropan-2-yl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-phenylpropan-2-yl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 105058784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).