1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide

C21H25N5O3 — CID 39267672

About 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide

1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 39267672) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 39267672
• Molecular Formula: C21H25N5O3
• Molecular Weight: 395.46 g/mol
• Exact Mass: 395.20
• IUPAC Name: 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
• SMILES: CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ccccn3)cc(C(C)C)nc21
• InChI: InChI=1S/C21H25N5O3/c1-12(2)11-26-18-17(20(28)25-21(26)29)15(9-16(24-18)13(3)4)19(27)23-10-14-7-5-6-8-22-14/h5-9,12-13H,10-11H2,1-4H3,(H,23,27)(H,25,28,29)
• InChIKey: FAYMEXWCXSNPER-UHFFFAOYSA-N
• XLogP: 2.19
• TPSA: 109.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.46
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?

The IUPAC name of 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide (CID 39267672) is 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide.

What is the SMILES notation for 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?

The canonical SMILES for 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide is CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ccccn3)cc(C(C)C)nc21.

What is the InChIKey of 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?

The InChIKey is FAYMEXWCXSNPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-12(2)11-26-18-17(20(28)25-21(26)29)15(9-16(24-18)13(3)4)19(27)23-10-14-7-5-6-8-22-14/h5-9,12-13H,10-11H2,1-4H3,(H,23,27)(H,25,28,29).

What are the key properties of 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide?

1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 39267672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).