N,N,6-trimethyl-3-(2-methyl-4,4-diphenylbut-3-en-2-yl)pyridazine-4-carboxamide

C25H27N3O — CID 171830576

IUPACN,N,6-trimethyl-3-(2-methyl-4,4-diphenylbut-3-en-2-yl)pyridazine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C)c(C(C)(C)C=C(c2ccccc2)c2ccccc2)nn1
InChIInChI=1S/C25H27N3O/c1-18-16-21(24(29)28(4)5)23(27-26-18)25(2,3)17-22(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-17H,1-5H3
InChIKeyCDQXISNTZTVLBP-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.90
Rot. Bonds5

About N,N,6-trimethyl-3-(2-methyl-4,4-diphenylbut-3-en-2-yl)pyridazine-4-carboxamide

N,N,6-trimethyl-3-(2-methyl-4,4-diphenylbut-3-en-2-yl)pyridazine-4-carboxamide (PubChem CID 171830576) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is N,N,6-trimethyl-3-(2-methyl-4,4-diphenylbut-3-en-2-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN,N,6-trimethyl-3-(2-methyl-4,4-diphenylbut-3-en-2-yl)pyridazine-4-carboxamide
PubChem CID171830576
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC NameN,N,6-trimethyl-3-(2-methyl-4,4-diphenylbut-3-en-2-yl)pyridazine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C)c(C(C)(C)C=C(c2ccccc2)c2ccccc2)nn1
InChIInChI=1S/C25H27N3O/c1-18-16-21(24(29)28(4)5)23(27-26-18)25(2,3)17-22(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-17H,1-5H3
InChIKeyCDQXISNTZTVLBP-UHFFFAOYSA-N
XLogP4.90
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethyl-3-(2-methyl-4,4-diphenylbut-3-en-2-yl)pyridazine-4-carboxamide?
The IUPAC name of N,N,6-trimethyl-3-(2-methyl-4,4-diphenylbut-3-en-2-yl)pyridazine-4-carboxamide (CID 171830576) is N,N,6-trimethyl-3-(2-methyl-4,4-diphenylbut-3-en-2-yl)pyridazine-4-carboxamide.
What is the SMILES notation for N,N,6-trimethyl-3-(2-methyl-4,4-diphenylbut-3-en-2-yl)pyridazine-4-carboxamide?
The canonical SMILES for N,N,6-trimethyl-3-(2-methyl-4,4-diphenylbut-3-en-2-yl)pyridazine-4-carboxamide is Cc1cc(C(=O)N(C)C)c(C(C)(C)C=C(c2ccccc2)c2ccccc2)nn1.
What is the InChIKey of N,N,6-trimethyl-3-(2-methyl-4,4-diphenylbut-3-en-2-yl)pyridazine-4-carboxamide?
The InChIKey is CDQXISNTZTVLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-18-16-21(24(29)28(4)5)23(27-26-18)25(2,3)17-22(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-17H,1-5H3.
What are the key properties of N,N,6-trimethyl-3-(2-methyl-4,4-diphenylbut-3-en-2-yl)pyridazine-4-carboxamide?
N,N,6-trimethyl-3-(2-methyl-4,4-diphenylbut-3-en-2-yl)pyridazine-4-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethyl-3-(2-methyl-4,4-diphenylbut-3-en-2-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 171830576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).