N-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-6-methoxy-3-(methylamino)pyridazine-4-carboxamide

C26H30Cl2N4O2 — CID 91265021

IUPACN-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-6-methoxy-3-(methylamino)pyridazine-4-carboxamide
SMILESCNc1nnc(OC)cc1C(=O)N(CCc1ccc(Cl)c(Cl)c1)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H30Cl2N4O2/c1-26(2,3)19-9-6-18(7-10-19)16-32(13-12-17-8-11-21(27)22(28)14-17)25(33)20-15-23(34-5)30-31-24(20)29-4/h6-11,14-15H,12-13,16H2,1-5H3,(H,29,31)
InChIKeyNAMMEUALWXNCHO-UHFFFAOYSA-N
MW501.46 g/mol
LogP6.02
Rot. Bonds8

About N-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-6-methoxy-3-(methylamino)pyridazine-4-carboxamide

N-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-6-methoxy-3-(methylamino)pyridazine-4-carboxamide (PubChem CID 91265021) has the molecular formula C26H30Cl2N4O2 and a molecular weight of 501.46 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-6-methoxy-3-(methylamino)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-6-methoxy-3-(methylamino)pyridazine-4-carboxamide
PubChem CID91265021
Molecular FormulaC26H30Cl2N4O2
Molecular Weight501.46 g/mol
Exact Mass500.17
IUPAC NameN-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-6-methoxy-3-(methylamino)pyridazine-4-carboxamide
SMILESCNc1nnc(OC)cc1C(=O)N(CCc1ccc(Cl)c(Cl)c1)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H30Cl2N4O2/c1-26(2,3)19-9-6-18(7-10-19)16-32(13-12-17-8-11-21(27)22(28)14-17)25(33)20-15-23(34-5)30-31-24(20)29-4/h6-11,14-15H,12-13,16H2,1-5H3,(H,29,31)
InChIKeyNAMMEUALWXNCHO-UHFFFAOYSA-N
XLogP6.02
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.46
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 68702466
5-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-N-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methyl]-2-(methylamino)pyridine-3-carboxamide
CID 87542554
4-amino-N-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dichlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 90733161
N-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-2-fluoropyridine-3-carboxamide
CID 24738252
N-[(4-tert-butylphenyl)methyl]-5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-(methylamino)benzamide
CID 68702574
N-[(6-tert-butyl-3-pyridinyl)methyl]-2-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-5-(methylamino)pyridine-4-carboxamide
CID 87237985
5-chloro-N-[2-(4-chlorophenyl)ethyl]-N-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methyl]-2-(methylamino)pyridine-3-carboxamide
CID 87542080
N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 88930033
N-[(4-tert-butylphenyl)methyl]-5-chloro-2-(methylamino)-N-(2-naphthalen-2-ylethyl)benzamide
CID 68701100
N-[(4-tert-butylphenyl)methyl]-5-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 24760873
N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(2-chloro-4-pyridinyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 24737788
6-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-N-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methyl]-3-(methylamino)pyridine-2-carboxamide
CID 91020396

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-6-methoxy-3-(methylamino)pyridazine-4-carboxamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-6-methoxy-3-(methylamino)pyridazine-4-carboxamide (CID 91265021) is N-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-6-methoxy-3-(methylamino)pyridazine-4-carboxamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-6-methoxy-3-(methylamino)pyridazine-4-carboxamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-6-methoxy-3-(methylamino)pyridazine-4-carboxamide is CNc1nnc(OC)cc1C(=O)N(CCc1ccc(Cl)c(Cl)c1)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-6-methoxy-3-(methylamino)pyridazine-4-carboxamide?
The InChIKey is NAMMEUALWXNCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30Cl2N4O2/c1-26(2,3)19-9-6-18(7-10-19)16-32(13-12-17-8-11-21(27)22(28)14-17)25(33)20-15-23(34-5)30-31-24(20)29-4/h6-11,14-15H,12-13,16H2,1-5H3,(H,29,31).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-6-methoxy-3-(methylamino)pyridazine-4-carboxamide?
N-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-6-methoxy-3-(methylamino)pyridazine-4-carboxamide has a molecular weight of 501.46 g/mol, XLogP of 6.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-6-methoxy-3-(methylamino)pyridazine-4-carboxamide is sourced from PubChem (CID 91265021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).