N-(1-hydroxy-3-phenylpropan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C14H17N3O3 — CID 63260416

IUPACN-(1-hydroxy-3-phenylpropan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NC(CO)Cc2ccccc2)=NN1
InChIInChI=1S/C14H17N3O3/c18-9-11(8-10-4-2-1-3-5-10)15-14(20)12-6-7-13(19)17-16-12/h1-5,11,18H,6-9H2,(H,15,20)(H,17,19)
InChIKeyWQKWNTDSNLTWMC-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.03
Rot. Bonds5

About N-(1-hydroxy-3-phenylpropan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(1-hydroxy-3-phenylpropan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 63260416) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(1-hydroxy-3-phenylpropan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-phenylpropan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID63260416
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(1-hydroxy-3-phenylpropan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NC(CO)Cc2ccccc2)=NN1
InChIInChI=1S/C14H17N3O3/c18-9-11(8-10-4-2-1-3-5-10)15-14(20)12-6-7-13(19)17-16-12/h1-5,11,18H,6-9H2,(H,15,20)(H,17,19)
InChIKeyWQKWNTDSNLTWMC-UHFFFAOYSA-N
XLogP-0.03
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 107861371
N-(1-hydroxy-4-methylpentan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61245724
3-(2-chlorophenyl)-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
CID 51078597
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-2-carboxamide
CID 55169382
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
5-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 114010232
5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80618194
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673888
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 107861491

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 63260416) is N-(1-hydroxy-3-phenylpropan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-phenylpropan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-phenylpropan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NC(CO)Cc2ccccc2)=NN1.
What is the InChIKey of N-(1-hydroxy-3-phenylpropan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is WQKWNTDSNLTWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-9-11(8-10-4-2-1-3-5-10)15-14(20)12-6-7-13(19)17-16-12/h1-5,11,18H,6-9H2,(H,15,20)(H,17,19).
What are the key properties of N-(1-hydroxy-3-phenylpropan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(1-hydroxy-3-phenylpropan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-phenylpropan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 63260416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).