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

C14H13Cl2N3O2 — CID 105058953

IUPAC3,6-dichloro-N-(1-hydroxy-2-phenylpropan-2-yl)pyridazine-4-carboxamide
SMILESCC(CO)(NC(=O)c1cc(Cl)nnc1Cl)c1ccccc1
InChIInChI=1S/C14H13Cl2N3O2/c1-14(8-20,9-5-3-2-4-6-9)17-13(21)10-7-11(15)18-19-12(10)16/h2-7,20H,8H2,1H3,(H,17,21)
InChIKeyNQVDQSBDEWLQFI-UHFFFAOYSA-N
MW326.18 g/mol
LogP2.42
Rot. Bonds4

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

3,6-dichloro-N-(1-hydroxy-2-phenylpropan-2-yl)pyridazine-4-carboxamide (PubChem CID 105058953) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 3,6-dichloro-N-(1-hydroxy-2-phenylpropan-2-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(1-hydroxy-2-phenylpropan-2-yl)pyridazine-4-carboxamide
PubChem CID105058953
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Name3,6-dichloro-N-(1-hydroxy-2-phenylpropan-2-yl)pyridazine-4-carboxamide
SMILESCC(CO)(NC(=O)c1cc(Cl)nnc1Cl)c1ccccc1
InChIInChI=1S/C14H13Cl2N3O2/c1-14(8-20,9-5-3-2-4-6-9)17-13(21)10-7-11(15)18-19-12(10)16/h2-7,20H,8H2,1H3,(H,17,21)
InChIKeyNQVDQSBDEWLQFI-UHFFFAOYSA-N
XLogP2.42
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-2-phenylpropan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 105058784
3-[(3,6-dichloropyridazine-4-carbonyl)amino]-3-methylbutanoic acid
CID 64673044
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
2-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methylbutanoic acid
CID 79792646
5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide
CID 105057681
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
N-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide
CID 105058775
3-bromo-4-chloro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 107989693
ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059191
ethyl 5-[(1-hydroxy-2-phenylpropan-2-yl)carbamoyl]-6-methylpyridine-3-carboxylate
CID 167976323
3-amino-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058260

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(1-hydroxy-2-phenylpropan-2-yl)pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-(1-hydroxy-2-phenylpropan-2-yl)pyridazine-4-carboxamide (CID 105058953) is 3,6-dichloro-N-(1-hydroxy-2-phenylpropan-2-yl)pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(1-hydroxy-2-phenylpropan-2-yl)pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(1-hydroxy-2-phenylpropan-2-yl)pyridazine-4-carboxamide is CC(CO)(NC(=O)c1cc(Cl)nnc1Cl)c1ccccc1.
What is the InChIKey of 3,6-dichloro-N-(1-hydroxy-2-phenylpropan-2-yl)pyridazine-4-carboxamide?
The InChIKey is NQVDQSBDEWLQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c1-14(8-20,9-5-3-2-4-6-9)17-13(21)10-7-11(15)18-19-12(10)16/h2-7,20H,8H2,1H3,(H,17,21).
What are the key properties of 3,6-dichloro-N-(1-hydroxy-2-phenylpropan-2-yl)pyridazine-4-carboxamide?
3,6-dichloro-N-(1-hydroxy-2-phenylpropan-2-yl)pyridazine-4-carboxamide has a molecular weight of 326.18 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(1-hydroxy-2-phenylpropan-2-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 105058953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).