4-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutanamide

C18H22N6O2 — CID 56917154

About 4-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutanamide

4-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutanamide (PubChem CID 56917154) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutanamide.

Molecular Properties

• Compound Name: 4-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutanamide
• PubChem CID: 56917154
• Molecular Formula: C18H22N6O2
• Molecular Weight: 354.41 g/mol
• Exact Mass: 354.18
• IUPAC Name: 4-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutanamide
• SMILES: CN(C)c1nc(-c2cccnc2)nc2c1CCN(C(=O)CCC(N)=O)C2
• InChI: InChI=1S/C18H22N6O2/c1-23(2)18-13-7-9-24(16(26)6-5-15(19)25)11-14(13)21-17(22-18)12-4-3-8-20-10-12/h3-4,8,10H,5-7,9,11H2,1-2H3,(H2,19,25)
• InChIKey: IRVOYCLPGAGFAE-UHFFFAOYSA-N
• XLogP: 0.75
• TPSA: 105.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.41
LogP ≤ 5	0.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutanamide?

The IUPAC name of 4-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutanamide (CID 56917154) is 4-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutanamide.

What is the SMILES notation for 4-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutanamide?

The canonical SMILES for 4-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutanamide is CN(C)c1nc(-c2cccnc2)nc2c1CCN(C(=O)CCC(N)=O)C2.

What is the InChIKey of 4-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutanamide?

The InChIKey is IRVOYCLPGAGFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-23(2)18-13-7-9-24(16(26)6-5-15(19)25)11-14(13)21-17(22-18)12-4-3-8-20-10-12/h3-4,8,10H,5-7,9,11H2,1-2H3,(H2,19,25).

What are the key properties of 4-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutanamide?

4-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutanamide has a molecular weight of 354.41 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutanamide is sourced from PubChem (CID 56917154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).