N-(3-chloro-4-cyanophenyl)-6-oxo-1-propylpyridazine-3-carboxamide

C15H13ClN4O2 — CID 30730757

IUPACN-(3-chloro-4-cyanophenyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1=O
InChIInChI=1S/C15H13ClN4O2/c1-2-7-20-14(21)6-5-13(19-20)15(22)18-11-4-3-10(9-17)12(16)8-11/h3-6,8H,2,7H2,1H3,(H,18,22)
InChIKeyLSTAMFXNRMEFCX-UHFFFAOYSA-N
MW316.75 g/mol
LogP2.43
Rot. Bonds4

About N-(3-chloro-4-cyanophenyl)-6-oxo-1-propylpyridazine-3-carboxamide

N-(3-chloro-4-cyanophenyl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 30730757) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID30730757
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC NameN-(3-chloro-4-cyanophenyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1=O
InChIInChI=1S/C15H13ClN4O2/c1-2-7-20-14(21)6-5-13(19-20)15(22)18-11-4-3-10(9-17)12(16)8-11/h3-6,8H,2,7H2,1H3,(H,18,22)
InChIKeyLSTAMFXNRMEFCX-UHFFFAOYSA-N
XLogP2.43
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanothiophen-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 30730517
N-[2-chloro-5-(methylcarbamoyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 87004540
N-(4-fluoro-3-nitrophenyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 42162099
N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 51266108
6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42162095
1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 42161973
N-(4-methyl-2-oxochromen-7-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 18081340
N-(6-methoxy-3-pyridinyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 18107814
N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 18081113
6-oxo-1-propyl-N'-(2,4,6-trichlorophenyl)pyridazine-3-carbohydrazide
CID 34933662
N-(3-chloro-4-cyanophenyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62165795
N-[1-(4-cyanophenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 51077267

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 30730757) is N-(3-chloro-4-cyanophenyl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1=O.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is LSTAMFXNRMEFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-2-7-20-14(21)6-5-13(19-20)15(22)18-11-4-3-10(9-17)12(16)8-11/h3-6,8H,2,7H2,1H3,(H,18,22).
What are the key properties of N-(3-chloro-4-cyanophenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(3-chloro-4-cyanophenyl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 316.75 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 30730757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).