N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C15H18ClN3O3 — CID 110795721

IUPACN-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCOc1c(C)cc(Cl)cc1CCNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C15H18ClN3O3/c1-9-7-11(16)8-10(14(9)22-2)5-6-17-15(21)12-3-4-13(20)19-18-12/h7-8H,3-6H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyTTWHANAMSXKXEV-UHFFFAOYSA-N
MW323.78 g/mol
LogP1.58
Rot. Bonds5

About N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 110795721) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID110795721
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC NameN-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCOc1c(C)cc(Cl)cc1CCNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C15H18ClN3O3/c1-9-7-11(16)8-10(14(9)22-2)5-6-17-15(21)12-3-4-13(20)19-18-12/h7-8H,3-6H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyTTWHANAMSXKXEV-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110795331
6-oxo-N-[2-(3,4,5-trimethoxyphenyl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 146025493
N-[2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110795450
methyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate
CID 110789555
2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea
CID 115168519
N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110795817
N-[(5-chloro-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793485
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110662836
N-(3,5-dichloro-2-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110792906
1-[2-(5-chloro-2-methoxy-3-methylphenyl)ethylamino]propan-2-one
CID 115235019
N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine
CID 96661815
N-[(5-acetamido-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110794427

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 110795721) is N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is COc1c(C)cc(Cl)cc1CCNC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is TTWHANAMSXKXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-9-7-11(16)8-10(14(9)22-2)5-6-17-15(21)12-3-4-13(20)19-18-12/h7-8H,3-6H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 323.78 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110795721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).