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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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).