N-[4-(furan-2-carbonylamino)phenyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

C26H27N5O5 — CID 39856077

About N-[4-(furan-2-carbonylamino)phenyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

N-[4-(furan-2-carbonylamino)phenyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 39856077) has the molecular formula C26H27N5O5 and a molecular weight of 489.53 g/mol. Its IUPAC name is N-[4-(furan-2-carbonylamino)phenyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-(furan-2-carbonylamino)phenyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 39856077
• Molecular Formula: C26H27N5O5
• Molecular Weight: 489.53 g/mol
• Exact Mass: 489.20
• IUPAC Name: N-[4-(furan-2-carbonylamino)phenyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
• SMILES: CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)cc(C(C)C)nc21
• InChI: InChI=1S/C26H27N5O5/c1-14(2)13-31-22-21(25(34)30-26(31)35)18(12-19(29-22)15(3)4)23(32)27-16-7-9-17(10-8-16)28-24(33)20-6-5-11-36-20/h5-12,14-15H,13H2,1-4H3,(H,27,32)(H,28,33)(H,30,34,35)
• InChIKey: YFUYQDXADJQKNR-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 139.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.53
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-carbonylamino)phenyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?

The IUPAC name of N-[4-(furan-2-carbonylamino)phenyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 39856077) is N-[4-(furan-2-carbonylamino)phenyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.

What is the SMILES notation for N-[4-(furan-2-carbonylamino)phenyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?

The canonical SMILES for N-[4-(furan-2-carbonylamino)phenyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)cc(C(C)C)nc21.

What is the InChIKey of N-[4-(furan-2-carbonylamino)phenyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?

The InChIKey is YFUYQDXADJQKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O5/c1-14(2)13-31-22-21(25(34)30-26(31)35)18(12-19(29-22)15(3)4)23(32)27-16-7-9-17(10-8-16)28-24(33)20-6-5-11-36-20/h5-12,14-15H,13H2,1-4H3,(H,27,32)(H,28,33)(H,30,34,35).

What are the key properties of N-[4-(furan-2-carbonylamino)phenyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?

N-[4-(furan-2-carbonylamino)phenyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 489.53 g/mol, XLogP of 3.96, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(furan-2-carbonylamino)phenyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 39856077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).