N-[6-(tert-butylamino)pyridazin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide

C19H26N4O3 — CID 113044288

IUPACN-[6-(tert-butylamino)pyridazin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(NC(C)(C)C)nn2)cc1OC
InChIInChI=1S/C19H26N4O3/c1-19(2,3)21-17-10-9-16(22-23-17)20-18(24)11-7-13-6-8-14(25-4)15(12-13)26-5/h6,8-10,12H,7,11H2,1-5H3,(H,21,23)(H,20,22,24)
InChIKeyPLMXCCHJCZEZDR-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.28
Rot. Bonds7

About N-[6-(tert-butylamino)pyridazin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide

N-[6-(tert-butylamino)pyridazin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 113044288) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[6-(tert-butylamino)pyridazin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[6-(tert-butylamino)pyridazin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID113044288
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[6-(tert-butylamino)pyridazin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(NC(C)(C)C)nn2)cc1OC
InChIInChI=1S/C19H26N4O3/c1-19(2,3)21-17-10-9-16(22-23-17)20-18(24)11-7-13-6-8-14(25-4)15(12-13)26-5/h6,8-10,12H,7,11H2,1-5H3,(H,21,23)(H,20,22,24)
InChIKeyPLMXCCHJCZEZDR-UHFFFAOYSA-N
XLogP3.28
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(tert-butylamino)-3-pyridinyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113014809
3-(3,4-dimethoxyphenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]propanamide
CID 113037967
3-(3,4-dimethoxyphenyl)-N-[6-(4-fluoroanilino)pyridazin-3-yl]propanamide
CID 113047289
N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-yl]propanamide
CID 113043251
N-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 82354510
3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19221168
3-(3,4-dimethoxyphenyl)-N-(2-methylpentan-2-yl)propanamide
CID 49366734
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)propanamide
CID 19220644
3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide
CID 12822107
4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide
CID 44516409

Frequently Asked Questions

What is the IUPAC name of N-[6-(tert-butylamino)pyridazin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-[6-(tert-butylamino)pyridazin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide (CID 113044288) is N-[6-(tert-butylamino)pyridazin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-[6-(tert-butylamino)pyridazin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-[6-(tert-butylamino)pyridazin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(NC(C)(C)C)nn2)cc1OC.
What is the InChIKey of N-[6-(tert-butylamino)pyridazin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is PLMXCCHJCZEZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-19(2,3)21-17-10-9-16(22-23-17)20-18(24)11-7-13-6-8-14(25-4)15(12-13)26-5/h6,8-10,12H,7,11H2,1-5H3,(H,21,23)(H,20,22,24).
What are the key properties of N-[6-(tert-butylamino)pyridazin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide?
N-[6-(tert-butylamino)pyridazin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 358.44 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(tert-butylamino)pyridazin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 113044288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).