N-[3-(2-amino-4-ethoxypteridin-6-yl)phenyl]-4-oxobutanamide

C18H18N6O3 — CID 24794545

IUPACN-[3-(2-amino-4-ethoxypteridin-6-yl)phenyl]-4-oxobutanamide
SMILESCCOc1nc(N)nc2ncc(-c3cccc(NC(=O)CCC=O)c3)nc12
InChIInChI=1S/C18H18N6O3/c1-2-27-17-15-16(23-18(19)24-17)20-10-13(22-15)11-5-3-6-12(9-11)21-14(26)7-4-8-25/h3,5-6,8-10H,2,4,7H2,1H3,(H,21,26)(H2,19,20,23,24)
InChIKeyJJPLZZGRHJHQJW-UHFFFAOYSA-N
MW366.38 g/mol
LogP1.99
Rot. Bonds7

About N-[3-(2-amino-4-ethoxypteridin-6-yl)phenyl]-4-oxobutanamide

N-[3-(2-amino-4-ethoxypteridin-6-yl)phenyl]-4-oxobutanamide (PubChem CID 24794545) has the molecular formula C18H18N6O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[3-(2-amino-4-ethoxypteridin-6-yl)phenyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-[3-(2-amino-4-ethoxypteridin-6-yl)phenyl]-4-oxobutanamide
PubChem CID24794545
Molecular FormulaC18H18N6O3
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC NameN-[3-(2-amino-4-ethoxypteridin-6-yl)phenyl]-4-oxobutanamide
SMILESCCOc1nc(N)nc2ncc(-c3cccc(NC(=O)CCC=O)c3)nc12
InChIInChI=1S/C18H18N6O3/c1-2-27-17-15-16(23-18(19)24-17)20-10-13(22-15)11-5-3-6-12(9-11)21-14(26)7-4-8-25/h3,5-6,8-10H,2,4,7H2,1H3,(H,21,26)(H2,19,20,23,24)
InChIKeyJJPLZZGRHJHQJW-UHFFFAOYSA-N
XLogP1.99
TPSA132.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-(2,6-dichlorophenyl)-4-ethoxypteridin-2-amine
CID 24794686
4-ethoxy-6-(furan-2-yl)pteridin-2-amine
CID 24794720
6-(2,5-difluorophenyl)-4-ethoxypteridin-2-amine
CID 68774069
4-[3-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)anilino]-4-oxobutanoic acid
CID 68912338
4-ethoxy-6-(5-fluoro-2-methoxyphenyl)pteridin-2-amine
CID 68776540
N-(3-quinoxalin-2-ylphenyl)carbamoyl chloride
CID 73427550
3-amino-6-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651465
[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] 2-anilinobenzoate
CID 19616159
4-[2-amino-6-(4-chlorophenyl)pteridin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide
CID 110194603
N-[4-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)phenyl]-4-oxobutanamide
CID 87622044
1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea
CID 1485415
N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]heptanamide
CID 73345816

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-4-ethoxypteridin-6-yl)phenyl]-4-oxobutanamide?
The IUPAC name of N-[3-(2-amino-4-ethoxypteridin-6-yl)phenyl]-4-oxobutanamide (CID 24794545) is N-[3-(2-amino-4-ethoxypteridin-6-yl)phenyl]-4-oxobutanamide.
What is the SMILES notation for N-[3-(2-amino-4-ethoxypteridin-6-yl)phenyl]-4-oxobutanamide?
The canonical SMILES for N-[3-(2-amino-4-ethoxypteridin-6-yl)phenyl]-4-oxobutanamide is CCOc1nc(N)nc2ncc(-c3cccc(NC(=O)CCC=O)c3)nc12.
What is the InChIKey of N-[3-(2-amino-4-ethoxypteridin-6-yl)phenyl]-4-oxobutanamide?
The InChIKey is JJPLZZGRHJHQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3/c1-2-27-17-15-16(23-18(19)24-17)20-10-13(22-15)11-5-3-6-12(9-11)21-14(26)7-4-8-25/h3,5-6,8-10H,2,4,7H2,1H3,(H,21,26)(H2,19,20,23,24).
What are the key properties of N-[3-(2-amino-4-ethoxypteridin-6-yl)phenyl]-4-oxobutanamide?
N-[3-(2-amino-4-ethoxypteridin-6-yl)phenyl]-4-oxobutanamide has a molecular weight of 366.38 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-4-ethoxypteridin-6-yl)phenyl]-4-oxobutanamide is sourced from PubChem (CID 24794545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).