N-(3-chloro-4-methylphenyl)-4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide

C18H23ClN6O — CID 122333978

IUPACN-(3-chloro-4-methylphenyl)-4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccc(N(C)C)nn3)CC2)cc1Cl
InChIInChI=1S/C18H23ClN6O/c1-13-4-5-14(12-15(13)19)20-18(26)25-10-8-24(9-11-25)17-7-6-16(21-22-17)23(2)3/h4-7,12H,8-11H2,1-3H3,(H,20,26)
InChIKeyDCPVCMZVPWQVJS-UHFFFAOYSA-N
MW374.88 g/mol
LogP2.86
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide

N-(3-chloro-4-methylphenyl)-4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 122333978) has the molecular formula C18H23ClN6O and a molecular weight of 374.88 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide
PubChem CID122333978
Molecular FormulaC18H23ClN6O
Molecular Weight374.88 g/mol
Exact Mass374.16
IUPAC NameN-(3-chloro-4-methylphenyl)-4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccc(N(C)C)nn3)CC2)cc1Cl
InChIInChI=1S/C18H23ClN6O/c1-13-4-5-14(12-15(13)19)20-18(26)25-10-8-24(9-11-25)17-7-6-16(21-22-17)23(2)3/h4-7,12H,8-11H2,1-3H3,(H,20,26)
InChIKeyDCPVCMZVPWQVJS-UHFFFAOYSA-N
XLogP2.86
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 50945027
4-[6-(diethylamino)pyridazin-3-yl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 122335449
N-(3-chloro-4-methylphenyl)-4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 56699154
N-(3-chloro-4-methylphenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921239
N-(3-chloro-4-methoxyphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide
CID 50946755
N-(4-chlorophenyl)-4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335421
4-acetyl-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 23907940
N-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 17171501
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334278
N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 80703460
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122334859
N-(3,5-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334290

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide (CID 122333978) is N-(3-chloro-4-methylphenyl)-4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3ccc(N(C)C)nn3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The InChIKey is DCPVCMZVPWQVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O/c1-13-4-5-14(12-15(13)19)20-18(26)25-10-8-24(9-11-25)17-7-6-16(21-22-17)23(2)3/h4-7,12H,8-11H2,1-3H3,(H,20,26).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide?
N-(3-chloro-4-methylphenyl)-4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 374.88 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 122333978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).