N-[2-(3-chlorophenyl)ethyl]-6-propan-2-ylpyridazine-3-carboxamide

C16H18ClN3O — CID 113200400

IUPACN-[2-(3-chlorophenyl)ethyl]-6-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NCCc2cccc(Cl)c2)nn1
InChIInChI=1S/C16H18ClN3O/c1-11(2)14-6-7-15(20-19-14)16(21)18-9-8-12-4-3-5-13(17)10-12/h3-7,10-11H,8-9H2,1-2H3,(H,18,21)
InChIKeyVLHUKVVQSFZGOR-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.23
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-6-propan-2-ylpyridazine-3-carboxamide

N-[2-(3-chlorophenyl)ethyl]-6-propan-2-ylpyridazine-3-carboxamide (PubChem CID 113200400) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-6-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-6-propan-2-ylpyridazine-3-carboxamide
PubChem CID113200400
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-6-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NCCc2cccc(Cl)c2)nn1
InChIInChI=1S/C16H18ClN3O/c1-11(2)14-6-7-15(20-19-14)16(21)18-9-8-12-4-3-5-13(17)10-12/h3-7,10-11H,8-9H2,1-2H3,(H,18,21)
InChIKeyVLHUKVVQSFZGOR-UHFFFAOYSA-N
XLogP3.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179720
N-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113787
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
6-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109126321
6-[butyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109125564
2-(3-chlorophenyl)ethylurea
CID 127513466
N-[2-(3-chlorophenyl)ethyl]-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 110681602
N-[2-(3-chlorophenyl)ethyl]-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109126338
N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362010
N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443636
1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043911
N-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109124842

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-propan-2-ylpyridazine-3-carboxamide (CID 113200400) is N-[2-(3-chlorophenyl)ethyl]-6-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-6-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-6-propan-2-ylpyridazine-3-carboxamide is CC(C)c1ccc(C(=O)NCCc2cccc(Cl)c2)nn1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-6-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is VLHUKVVQSFZGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11(2)14-6-7-15(20-19-14)16(21)18-9-8-12-4-3-5-13(17)10-12/h3-7,10-11H,8-9H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-6-propan-2-ylpyridazine-3-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-6-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-6-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 113200400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).