N-[(E)-but-2-en-2-yl]-3-(4,4-dimethylazepan-1-yl)-5,6-dimethylpyridazine-4-carboxamide

C19H30N4O — CID 169124591

IUPACN-[(E)-but-2-en-2-yl]-3-(4,4-dimethylazepan-1-yl)-5,6-dimethylpyridazine-4-carboxamide
SMILESC/C=C(\C)NC(=O)c1c(N2CCCC(C)(C)CC2)nnc(C)c1C
InChIInChI=1S/C19H30N4O/c1-7-13(2)20-18(24)16-14(3)15(4)21-22-17(16)23-11-8-9-19(5,6)10-12-23/h7H,8-12H2,1-6H3,(H,20,24)/b13-7+
InChIKeyVHBIRJWRPKAYOQ-NTUHNPAUSA-N
MW330.48 g/mol
LogP3.76
Rot. Bonds3

About N-[(E)-but-2-en-2-yl]-3-(4,4-dimethylazepan-1-yl)-5,6-dimethylpyridazine-4-carboxamide

N-[(E)-but-2-en-2-yl]-3-(4,4-dimethylazepan-1-yl)-5,6-dimethylpyridazine-4-carboxamide (PubChem CID 169124591) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[(E)-but-2-en-2-yl]-3-(4,4-dimethylazepan-1-yl)-5,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-but-2-en-2-yl]-3-(4,4-dimethylazepan-1-yl)-5,6-dimethylpyridazine-4-carboxamide
PubChem CID169124591
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-[(E)-but-2-en-2-yl]-3-(4,4-dimethylazepan-1-yl)-5,6-dimethylpyridazine-4-carboxamide
SMILESC/C=C(\C)NC(=O)c1c(N2CCCC(C)(C)CC2)nnc(C)c1C
InChIInChI=1S/C19H30N4O/c1-7-13(2)20-18(24)16-14(3)15(4)21-22-17(16)23-11-8-9-19(5,6)10-12-23/h7H,8-12H2,1-6H3,(H,20,24)/b13-7+
InChIKeyVHBIRJWRPKAYOQ-NTUHNPAUSA-N
XLogP3.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-en-2-yl]-3-(4,4-dimethylazepan-1-yl)-5,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-[(E)-but-2-en-2-yl]-3-(4,4-dimethylazepan-1-yl)-5,6-dimethylpyridazine-4-carboxamide (CID 169124591) is N-[(E)-but-2-en-2-yl]-3-(4,4-dimethylazepan-1-yl)-5,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-[(E)-but-2-en-2-yl]-3-(4,4-dimethylazepan-1-yl)-5,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-[(E)-but-2-en-2-yl]-3-(4,4-dimethylazepan-1-yl)-5,6-dimethylpyridazine-4-carboxamide is C/C=C(\C)NC(=O)c1c(N2CCCC(C)(C)CC2)nnc(C)c1C.
What is the InChIKey of N-[(E)-but-2-en-2-yl]-3-(4,4-dimethylazepan-1-yl)-5,6-dimethylpyridazine-4-carboxamide?
The InChIKey is VHBIRJWRPKAYOQ-NTUHNPAUSA-N. The full InChI is InChI=1S/C19H30N4O/c1-7-13(2)20-18(24)16-14(3)15(4)21-22-17(16)23-11-8-9-19(5,6)10-12-23/h7H,8-12H2,1-6H3,(H,20,24)/b13-7+.
What are the key properties of N-[(E)-but-2-en-2-yl]-3-(4,4-dimethylazepan-1-yl)-5,6-dimethylpyridazine-4-carboxamide?
N-[(E)-but-2-en-2-yl]-3-(4,4-dimethylazepan-1-yl)-5,6-dimethylpyridazine-4-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-en-2-yl]-3-(4,4-dimethylazepan-1-yl)-5,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 169124591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).