2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide

C19H26N4O3 — CID 97277107

IUPAC2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide
SMILESCOc1ccccc1C[C@H](C)N(C)C(=O)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C19H26N4O3/c1-14(10-15-8-6-7-9-17(15)26-5)22(4)19(25)13-23-18(24)11-16(12-20-23)21(2)3/h6-9,11-12,14H,10,13H2,1-5H3/t14-/m0/s1
InChIKeyRYFQMNAKXLYZKI-AWEZNQCLSA-N
MW358.44 g/mol
LogP1.41
Rot. Bonds7

About 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide

2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide (PubChem CID 97277107) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide
PubChem CID97277107
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide
SMILESCOc1ccccc1C[C@H](C)N(C)C(=O)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C19H26N4O3/c1-14(10-15-8-6-7-9-17(15)26-5)22(4)19(25)13-23-18(24)11-16(12-20-23)21(2)3/h6-9,11-12,14H,10,13H2,1-5H3/t14-/m0/s1
InChIKeyRYFQMNAKXLYZKI-AWEZNQCLSA-N
XLogP1.41
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
5-(dimethylamino)-2-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 45245591
3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide
CID 65488019
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide
CID 65486697
2-[(5-amino-2-methoxyphenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114393496
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368
3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide
CID 115665268
3-(aminomethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpentanamide
CID 81084373
2-(azetidin-3-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide
CID 65488021
5-(dimethylamino)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridazin-3-one
CID 72857210
1-[1-(2-methoxyphenyl)propan-2-yl]-1-methyl-3-propylurea
CID 115660984

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide (CID 97277107) is 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide is COc1ccccc1C[C@H](C)N(C)C(=O)Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide?
The InChIKey is RYFQMNAKXLYZKI-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14(10-15-8-6-7-9-17(15)26-5)22(4)19(25)13-23-18(24)11-16(12-20-23)21(2)3/h6-9,11-12,14H,10,13H2,1-5H3/t14-/m0/s1.
What are the key properties of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide?
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide has a molecular weight of 358.44 g/mol, XLogP of 1.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide is sourced from PubChem (CID 97277107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).