N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

C19H26N4O3 — CID 119527189

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NCC(N)c2ccc(C(C)C)cc2)ccc1=O
InChIInChI=1S/C19H26N4O3/c1-13(2)14-4-6-15(7-5-14)16(20)12-21-19(25)17-8-9-18(24)23(22-17)10-11-26-3/h4-9,13,16H,10-12,20H2,1-3H3,(H,21,25)
InChIKeyGLWXQPAWXTVCIV-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.44
Rot. Bonds8

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 119527189) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
PubChem CID119527189
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NCC(N)c2ccc(C(C)C)cc2)ccc1=O
InChIInChI=1S/C19H26N4O3/c1-13(2)14-4-6-15(7-5-14)16(20)12-21-19(25)17-8-9-18(24)23(22-17)10-11-26-3/h4-9,13,16H,10-12,20H2,1-3H3,(H,21,25)
InChIKeyGLWXQPAWXTVCIV-UHFFFAOYSA-N
XLogP1.44
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-hydroxypropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 83031566
1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 35019256
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 94028973
N-[(2R)-1-hydroxypropan-2-yl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 79027672
methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
CID 47120194
N-(5-hydroxypentyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 107318837
N-(4-hydroxy-1-methoxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 103799623
N-(2-ethyl-2-hydroxybutyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 65112591
methyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate
CID 103879096
2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]oxyacetic acid
CID 63930762
N-(1-hydroxy-4-methylpentan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 61247357
2-hydroxy-3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-2-methylpropanoic acid
CID 66172187

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (CID 119527189) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is COCCn1nc(C(=O)NCC(N)c2ccc(C(C)C)cc2)ccc1=O.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is GLWXQPAWXTVCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13(2)14-4-6-15(7-5-14)16(20)12-21-19(25)17-8-9-18(24)23(22-17)10-11-26-3/h4-9,13,16H,10-12,20H2,1-3H3,(H,21,25).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 119527189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).