N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide

C18H18ClF3N4O — CID 109113270

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
SMILESCC1CCN(c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)nn2)CC1
InChIInChI=1S/C18H18ClF3N4O/c1-11-6-8-26(9-7-11)16-5-4-14(24-25-16)17(27)23-15-10-12(18(20,21)22)2-3-13(15)19/h2-5,10-11H,6-9H2,1H3,(H,23,27)
InChIKeyNYYCXBZONCSPOJ-UHFFFAOYSA-N
MW398.82 g/mol
LogP4.64
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide (PubChem CID 109113270) has the molecular formula C18H18ClF3N4O and a molecular weight of 398.82 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
PubChem CID109113270
Molecular FormulaC18H18ClF3N4O
Molecular Weight398.82 g/mol
Exact Mass398.11
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
SMILESCC1CCN(c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)nn2)CC1
InChIInChI=1S/C18H18ClF3N4O/c1-11-6-8-26(9-7-11)16-5-4-14(24-25-16)17(27)23-15-10-12(18(20,21)22)2-3-13(15)19/h2-5,10-11H,6-9H2,1H3,(H,23,27)
InChIKeyNYYCXBZONCSPOJ-UHFFFAOYSA-N
XLogP4.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.82
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109113261
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183554
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250965
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118846
N-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109113214
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 41089285
methyl 4-chloro-3-[[6-(3-methylpiperidin-1-yl)pyridazine-3-carbonyl]amino]benzoate
CID 109125990
6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109604
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112603
N-(2-ethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109113251
methyl 3-[[6-(azepan-1-yl)pyridazine-3-carbonyl]amino]-4-chlorobenzoate
CID 109126408

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide (CID 109113270) is N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide is CC1CCN(c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)nn2)CC1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide?
The InChIKey is NYYCXBZONCSPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N4O/c1-11-6-8-26(9-7-11)16-5-4-14(24-25-16)17(27)23-15-10-12(18(20,21)22)2-3-13(15)19/h2-5,10-11H,6-9H2,1H3,(H,23,27).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide has a molecular weight of 398.82 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109113270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).