(5R)-N-(3,4-dimethylphenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

C23H29N5O3 — CID 136875397

About (5R)-N-(3,4-dimethylphenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

(5R)-N-(3,4-dimethylphenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 136875397) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is (5R)-N-(3,4-dimethylphenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: (5R)-N-(3,4-dimethylphenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 136875397
• Molecular Formula: C23H29N5O3
• Molecular Weight: 423.52 g/mol
• Exact Mass: 423.23
• IUPAC Name: (5R)-N-(3,4-dimethylphenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
• SMILES: Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4C[C@H](C)C[C@H](C)C4)[nH]c(=O)c32)cc1C
• InChI: InChI=1S/C23H29N5O3/c1-12-7-13(2)11-28(10-12)23-26-20-19(22(31)27-23)17(9-18(29)25-20)21(30)24-16-6-5-14(3)15(4)8-16/h5-6,8,12-13,17H,7,9-11H2,1-4H3,(H,24,30)(H2,25,26,27,29,31)/t12-,13+,17-/m1/s1
• InChIKey: CNLCZLOPXXTXQA-IIYDPXPESA-N
• XLogP: 2.93
• TPSA: 107.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.52
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(3,4-dimethylphenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?

The IUPAC name of (5R)-N-(3,4-dimethylphenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (CID 136875397) is (5R)-N-(3,4-dimethylphenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.

What is the SMILES notation for (5R)-N-(3,4-dimethylphenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?

The canonical SMILES for (5R)-N-(3,4-dimethylphenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4C[C@H](C)C[C@H](C)C4)[nH]c(=O)c32)cc1C.

What is the InChIKey of (5R)-N-(3,4-dimethylphenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?

The InChIKey is CNLCZLOPXXTXQA-IIYDPXPESA-N. The full InChI is InChI=1S/C23H29N5O3/c1-12-7-13(2)11-28(10-12)23-26-20-19(22(31)27-23)17(9-18(29)25-20)21(30)24-16-6-5-14(3)15(4)8-16/h5-6,8,12-13,17H,7,9-11H2,1-4H3,(H,24,30)(H2,25,26,27,29,31)/t12-,13+,17-/m1/s1.

What are the key properties of (5R)-N-(3,4-dimethylphenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?

(5R)-N-(3,4-dimethylphenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-N-(3,4-dimethylphenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 136875397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).