1-(3-chloro-4-methylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C18H20ClN5O2 — CID 47031142

IUPAC1-(3-chloro-4-methylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(N2N=C(C(=O)NC(C)Cn3ccnc3)CCC2=O)cc1Cl
InChIInChI=1S/C18H20ClN5O2/c1-12-3-4-14(9-15(12)19)24-17(25)6-5-16(22-24)18(26)21-13(2)10-23-8-7-20-11-23/h3-4,7-9,11,13H,5-6,10H2,1-2H3,(H,21,26)
InChIKeyFKSFUNUEAVKRTD-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.53
Rot. Bonds5

About 1-(3-chloro-4-methylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-(3-chloro-4-methylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 47031142) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID47031142
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name1-(3-chloro-4-methylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(N2N=C(C(=O)NC(C)Cn3ccnc3)CCC2=O)cc1Cl
InChIInChI=1S/C18H20ClN5O2/c1-12-3-4-14(9-15(12)19)24-17(25)6-5-16(22-24)18(26)21-13(2)10-23-8-7-20-11-23/h3-4,7-9,11,13H,5-6,10H2,1-2H3,(H,21,26)
InChIKeyFKSFUNUEAVKRTD-UHFFFAOYSA-N
XLogP2.53
TPSA79.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-(1-methylpyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 32607122
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CID 17454351
1-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 16591043
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CID 43695461
4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrrole-2-carboxamide
CID 47187642
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide
CID 65311773
1-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 78856979
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CID 71877714
2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114917693
N-[(4-benzylmorpholin-2-yl)methyl]-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 43064051
N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide
CID 63213990
N-(1-imidazol-1-ylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 47031142) is 1-(3-chloro-4-methylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1ccc(N2N=C(C(=O)NC(C)Cn3ccnc3)CCC2=O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is FKSFUNUEAVKRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-12-3-4-14(9-15(12)19)24-17(25)6-5-16(22-24)18(26)21-13(2)10-23-8-7-20-11-23/h3-4,7-9,11,13H,5-6,10H2,1-2H3,(H,21,26).
What are the key properties of 1-(3-chloro-4-methylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-(3-chloro-4-methylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 47031142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).