8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2-propan-2-yl-2,7-naphthyridin-1-one

C20H25N5O2 — CID 58167037

About 8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2-propan-2-yl-2,7-naphthyridin-1-one

8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2-propan-2-yl-2,7-naphthyridin-1-one (PubChem CID 58167037) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2-propan-2-yl-2,7-naphthyridin-1-one.

Molecular Properties

• Compound Name: 8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2-propan-2-yl-2,7-naphthyridin-1-one
• PubChem CID: 58167037
• Molecular Formula: C20H25N5O2
• Molecular Weight: 367.45 g/mol
• Exact Mass: 367.20
• IUPAC Name: 8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2-propan-2-yl-2,7-naphthyridin-1-one
• SMILES: Cc1ccnc(Nc2cc3ccn(C(C)C)c(=O)c3c(N[C@@H](C)CO)n2)c1
• InChI: InChI=1S/C20H25N5O2/c1-12(2)25-8-6-15-10-17(23-16-9-13(3)5-7-21-16)24-19(18(15)20(25)27)22-14(4)11-26/h5-10,12,14,26H,11H2,1-4H3,(H2,21,22,23,24)/t14-/m0/s1
• InChIKey: XVNZWROYSJAGCY-AWEZNQCLSA-N
• XLogP: 3.22
• TPSA: 92.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.45
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2-propan-2-yl-2,7-naphthyridin-1-one (CID 58167037) is 8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2-propan-2-yl-2,7-naphthyridin-1-one.

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

The canonical SMILES for 8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2-propan-2-yl-2,7-naphthyridin-1-one is Cc1ccnc(Nc2cc3ccn(C(C)C)c(=O)c3c(N[C@@H](C)CO)n2)c1.

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

The InChIKey is XVNZWROYSJAGCY-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-12(2)25-8-6-15-10-17(23-16-9-13(3)5-7-21-16)24-19(18(15)20(25)27)22-14(4)11-26/h5-10,12,14,26H,11H2,1-4H3,(H2,21,22,23,24)/t14-/m0/s1.

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

8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2-propan-2-yl-2,7-naphthyridin-1-one has a molecular weight of 367.45 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2-propan-2-yl-2,7-naphthyridin-1-one is sourced from PubChem (CID 58167037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).