1-[6-(4-chlorophenyl)-4,5-dimethylpyridazin-3-yl]piperidine-4-carboxamide

C18H21ClN4O — CID 126829585

IUPAC1-[6-(4-chlorophenyl)-4,5-dimethylpyridazin-3-yl]piperidine-4-carboxamide
SMILESCc1c(-c2ccc(Cl)cc2)nnc(N2CCC(C(N)=O)CC2)c1C
InChIInChI=1S/C18H21ClN4O/c1-11-12(2)18(23-9-7-14(8-10-23)17(20)24)22-21-16(11)13-3-5-15(19)6-4-13/h3-6,14H,7-10H2,1-2H3,(H2,20,24)
InChIKeyNQFKVIIHMCQJDP-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.12
Rot. Bonds3

About 1-[6-(4-chlorophenyl)-4,5-dimethylpyridazin-3-yl]piperidine-4-carboxamide

1-[6-(4-chlorophenyl)-4,5-dimethylpyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 126829585) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)-4,5-dimethylpyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-chlorophenyl)-4,5-dimethylpyridazin-3-yl]piperidine-4-carboxamide
PubChem CID126829585
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name1-[6-(4-chlorophenyl)-4,5-dimethylpyridazin-3-yl]piperidine-4-carboxamide
SMILESCc1c(-c2ccc(Cl)cc2)nnc(N2CCC(C(N)=O)CC2)c1C
InChIInChI=1S/C18H21ClN4O/c1-11-12(2)18(23-9-7-14(8-10-23)17(20)24)22-21-16(11)13-3-5-15(19)6-4-13/h3-6,14H,7-10H2,1-2H3,(H2,20,24)
InChIKeyNQFKVIIHMCQJDP-UHFFFAOYSA-N
XLogP3.12
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 56896923
1-[2-(4-chlorophenyl)-8-methylquinolin-4-yl]piperidine-4-carboxamide
CID 70458495
1-[4-(4-chlorophenyl)thiadiazole-5-carbonyl]piperidine-4-carboxamide
CID 100748186
4-amino-N-[1-(4,5-dimethyl-6-phenylpyridazin-3-yl)piperidin-4-yl]-N-methylbenzamide
CID 70658290
1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 79727259
1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]piperidine-4-carboxamide
CID 70671671
1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide
CID 79238224
N-[1-[6-(4-cyanophenyl)-4,5-dimethylpyridazin-3-yl]piperidin-4-yl]-4,4-difluoro-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 67447996
1-[2-(4-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-amine
CID 56767166
1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 137291501
1-(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxamide
CID 23412058
ethyl 2-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-2-methylpropanoate
CID 134470812

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenyl)-4,5-dimethylpyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-chlorophenyl)-4,5-dimethylpyridazin-3-yl]piperidine-4-carboxamide (CID 126829585) is 1-[6-(4-chlorophenyl)-4,5-dimethylpyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-chlorophenyl)-4,5-dimethylpyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-chlorophenyl)-4,5-dimethylpyridazin-3-yl]piperidine-4-carboxamide is Cc1c(-c2ccc(Cl)cc2)nnc(N2CCC(C(N)=O)CC2)c1C.
What is the InChIKey of 1-[6-(4-chlorophenyl)-4,5-dimethylpyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is NQFKVIIHMCQJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-11-12(2)18(23-9-7-14(8-10-23)17(20)24)22-21-16(11)13-3-5-15(19)6-4-13/h3-6,14H,7-10H2,1-2H3,(H2,20,24).
What are the key properties of 1-[6-(4-chlorophenyl)-4,5-dimethylpyridazin-3-yl]piperidine-4-carboxamide?
1-[6-(4-chlorophenyl)-4,5-dimethylpyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenyl)-4,5-dimethylpyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 126829585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).