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

C19H21N5O3 — CID 39267700

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

1-ethyl-2,4-dioxo-7-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 39267700) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-ethyl-2,4-dioxo-7-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-2,4-dioxo-7-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 39267700
• Molecular Formula: C19H21N5O3
• Molecular Weight: 367.41 g/mol
• Exact Mass: 367.16
• IUPAC Name: 1-ethyl-2,4-dioxo-7-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
• SMILES: CCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3cccnc3)cc(C(C)C)nc21
• InChI: InChI=1S/C19H21N5O3/c1-4-24-16-15(18(26)23-19(24)27)13(8-14(22-16)11(2)3)17(25)21-10-12-6-5-7-20-9-12/h5-9,11H,4,10H2,1-3H3,(H,21,25)(H,23,26,27)
• InChIKey: BRFYPGVMVDTBIC-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 109.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.41
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-ethyl-2,4-dioxo-7-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide (CID 39267700) is 1-ethyl-2,4-dioxo-7-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide.

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

The canonical SMILES for 1-ethyl-2,4-dioxo-7-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide is CCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3cccnc3)cc(C(C)C)nc21.

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

The InChIKey is BRFYPGVMVDTBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-4-24-16-15(18(26)23-19(24)27)13(8-14(22-16)11(2)3)17(25)21-10-12-6-5-7-20-9-12/h5-9,11H,4,10H2,1-3H3,(H,21,25)(H,23,26,27).

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

1-ethyl-2,4-dioxo-7-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-2,4-dioxo-7-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 39267700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).