3-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxamide

C23H21F2N5O4 — CID 10322434

About 3-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxamide

3-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 10322434) has the molecular formula C23H21F2N5O4 and a molecular weight of 469.45 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 3-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 10322434
• Molecular Formula: C23H21F2N5O4
• Molecular Weight: 469.45 g/mol
• Exact Mass: 469.16
• IUPAC Name: 3-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
• SMILES: COc1cc(CNC(=O)C2=Cc3c([nH]c(=O)n(Cc4ccc(F)c(F)c4)c3=O)N(C)C2)ccn1
• InChI: InChI=1S/C23H21F2N5O4/c1-29-12-15(21(31)27-10-13-5-6-26-19(8-13)34-2)9-16-20(29)28-23(33)30(22(16)32)11-14-3-4-17(24)18(25)7-14/h3-9H,10-12H2,1-2H3,(H,27,31)(H,28,33)
• InChIKey: YSDYDPCOEKLKQP-UHFFFAOYSA-N
• XLogP: 1.42
• TPSA: 109.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.45
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 3-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxamide (CID 10322434) is 3-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 3-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 3-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxamide is COc1cc(CNC(=O)C2=Cc3c([nH]c(=O)n(Cc4ccc(F)c(F)c4)c3=O)N(C)C2)ccn1.

What is the InChIKey of 3-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is YSDYDPCOEKLKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O4/c1-29-12-15(21(31)27-10-13-5-6-26-19(8-13)34-2)9-16-20(29)28-23(33)30(22(16)32)11-14-3-4-17(24)18(25)7-14/h3-9H,10-12H2,1-2H3,(H,27,31)(H,28,33).

What are the key properties of 3-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxamide?

3-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 469.45 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 10322434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).