N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C15H18ClN3O3 — CID 110794021

IUPACN-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)C2=NNC(=O)CC2)cc1Cl
InChIInChI=1S/C15H18ClN3O3/c1-9(2)22-13-5-3-10(7-11(13)16)8-17-15(21)12-4-6-14(20)19-18-12/h3,5,7,9H,4,6,8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyBLPTXDBQDKLJNL-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.01
Rot. Bonds5

About N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 110794021) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID110794021
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC NameN-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)C2=NNC(=O)CC2)cc1Cl
InChIInChI=1S/C15H18ClN3O3/c1-9(2)22-13-5-3-10(7-11(13)16)8-17-15(21)12-4-6-14(20)19-18-12/h3,5,7,9H,4,6,8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyBLPTXDBQDKLJNL-UHFFFAOYSA-N
XLogP2.01
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide with MolForge

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Related Compounds

N-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3291050
N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]pyridine-4-carboxamide
CID 110782158
N-[(5-chloro-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793485
6-oxo-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793824
6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110746339
N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 113223204
N-(4-methoxy-3-propan-2-ylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110792592
N-(2-aminoethyl)-2-(3-chloro-4-propan-2-yloxyphenyl)acetamide
CID 95474116
1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one
CID 82494710
(2S)-1-[(3-chloro-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51996926
3-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoic acid
CID 83549965
N-[(4-methylphenyl)methyl]-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467740

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 110794021) is N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CC(C)Oc1ccc(CNC(=O)C2=NNC(=O)CC2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is BLPTXDBQDKLJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-9(2)22-13-5-3-10(7-11(13)16)8-17-15(21)12-4-6-14(20)19-18-12/h3,5,7,9H,4,6,8H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 323.78 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110794021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).