4-[6-amino-5-[1-(4-methylphenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one

C19H19N3O2 — CID 155551832

IUPAC4-[6-amino-5-[1-(4-methylphenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one
SMILESCc1ccc(C(C)Oc2cc(-c3cc[nH]c(=O)c3)cnc2N)cc1
InChIInChI=1S/C19H19N3O2/c1-12-3-5-14(6-4-12)13(2)24-17-9-16(11-22-19(17)20)15-7-8-21-18(23)10-15/h3-11,13H,1-2H3,(H2,20,22)(H,21,23)
InChIKeyPWHJHLXNIZLAOP-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.47
Rot. Bonds4

About 4-[6-amino-5-[1-(4-methylphenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one

4-[6-amino-5-[1-(4-methylphenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one (PubChem CID 155551832) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[6-amino-5-[1-(4-methylphenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[6-amino-5-[1-(4-methylphenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one
PubChem CID155551832
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-[6-amino-5-[1-(4-methylphenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one
SMILESCc1ccc(C(C)Oc2cc(-c3cc[nH]c(=O)c3)cnc2N)cc1
InChIInChI=1S/C19H19N3O2/c1-12-3-5-14(6-4-12)13(2)24-17-9-16(11-22-19(17)20)15-7-8-21-18(23)10-15/h3-11,13H,1-2H3,(H2,20,22)(H,21,23)
InChIKeyPWHJHLXNIZLAOP-UHFFFAOYSA-N
XLogP3.47
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-[1-(4-methylphenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one?
The IUPAC name of 4-[6-amino-5-[1-(4-methylphenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one (CID 155551832) is 4-[6-amino-5-[1-(4-methylphenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[6-amino-5-[1-(4-methylphenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[6-amino-5-[1-(4-methylphenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one is Cc1ccc(C(C)Oc2cc(-c3cc[nH]c(=O)c3)cnc2N)cc1.
What is the InChIKey of 4-[6-amino-5-[1-(4-methylphenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one?
The InChIKey is PWHJHLXNIZLAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-3-5-14(6-4-12)13(2)24-17-9-16(11-22-19(17)20)15-7-8-21-18(23)10-15/h3-11,13H,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of 4-[6-amino-5-[1-(4-methylphenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one?
4-[6-amino-5-[1-(4-methylphenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one has a molecular weight of 321.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-[1-(4-methylphenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one is sourced from PubChem (CID 155551832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).