2-ethyl-8-(1-hydroxypropan-2-ylamino)-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one

C19H23N5O2 — CID 76691685

About 2-ethyl-8-(1-hydroxypropan-2-ylamino)-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one

2-ethyl-8-(1-hydroxypropan-2-ylamino)-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one (PubChem CID 76691685) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-ethyl-8-(1-hydroxypropan-2-ylamino)-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one.

Molecular Properties

• Compound Name: 2-ethyl-8-(1-hydroxypropan-2-ylamino)-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
• PubChem CID: 76691685
• Molecular Formula: C19H23N5O2
• Molecular Weight: 353.43 g/mol
• Exact Mass: 353.19
• IUPAC Name: 2-ethyl-8-(1-hydroxypropan-2-ylamino)-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
• SMILES: CCn1ccc2cc(Nc3cc(C)ccn3)nc(NC(C)CO)c2c1=O
• InChI: InChI=1S/C19H23N5O2/c1-4-24-8-6-14-10-16(22-15-9-12(2)5-7-20-15)23-18(17(14)19(24)26)21-13(3)11-25/h5-10,13,25H,4,11H2,1-3H3,(H2,20,21,22,23)
• InChIKey: XIBORSXVBQECTL-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 92.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.43
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-(1-hydroxypropan-2-ylamino)-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one?

The IUPAC name of 2-ethyl-8-(1-hydroxypropan-2-ylamino)-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one (CID 76691685) is 2-ethyl-8-(1-hydroxypropan-2-ylamino)-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one.

What is the SMILES notation for 2-ethyl-8-(1-hydroxypropan-2-ylamino)-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one?

The canonical SMILES for 2-ethyl-8-(1-hydroxypropan-2-ylamino)-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one is CCn1ccc2cc(Nc3cc(C)ccn3)nc(NC(C)CO)c2c1=O.

What is the InChIKey of 2-ethyl-8-(1-hydroxypropan-2-ylamino)-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one?

The InChIKey is XIBORSXVBQECTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-4-24-8-6-14-10-16(22-15-9-12(2)5-7-20-15)23-18(17(14)19(24)26)21-13(3)11-25/h5-10,13,25H,4,11H2,1-3H3,(H2,20,21,22,23).

What are the key properties of 2-ethyl-8-(1-hydroxypropan-2-ylamino)-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one?

2-ethyl-8-(1-hydroxypropan-2-ylamino)-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one has a molecular weight of 353.43 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-8-(1-hydroxypropan-2-ylamino)-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one is sourced from PubChem (CID 76691685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).