3-methyl-5-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one

C20H23N5O — CID 91827383

About 3-methyl-5-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one

3-methyl-5-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one (PubChem CID 91827383) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-methyl-5-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one.

Molecular Properties

• Compound Name: 3-methyl-5-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
• PubChem CID: 91827383
• Molecular Formula: C20H23N5O
• Molecular Weight: 349.44 g/mol
• Exact Mass: 349.19
• IUPAC Name: 3-methyl-5-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
• SMILES: Cc1cncc(-c2cnc(NC3CCNCC3)c3[nH]c(=O)c(C)cc23)c1
• InChI: InChI=1S/C20H23N5O/c1-12-7-14(10-22-9-12)17-11-23-19(24-15-3-5-21-6-4-15)18-16(17)8-13(2)20(26)25-18/h7-11,15,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)
• InChIKey: PAGDGWOISBNVEC-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 82.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.44
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?

The IUPAC name of 3-methyl-5-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one (CID 91827383) is 3-methyl-5-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one.

What is the SMILES notation for 3-methyl-5-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?

The canonical SMILES for 3-methyl-5-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one is Cc1cncc(-c2cnc(NC3CCNCC3)c3[nH]c(=O)c(C)cc23)c1.

What is the InChIKey of 3-methyl-5-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?

The InChIKey is PAGDGWOISBNVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-12-7-14(10-22-9-12)17-11-23-19(24-15-3-5-21-6-4-15)18-16(17)8-13(2)20(26)25-18/h7-11,15,21H,3-6H2,1-2H3,(H,23,24)(H,25,26).

What are the key properties of 3-methyl-5-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?

3-methyl-5-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one has a molecular weight of 349.44 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-5-(5-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 91827383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).