8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;4-(1-methylpiperidin-4-yl)aniline

C51H60N12O3S — CID 167710440

About 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;4-(1-methylpiperidin-4-yl)aniline

8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;4-(1-methylpiperidin-4-yl)aniline (PubChem CID 167710440) has the molecular formula C51H60N12O3S and a molecular weight of 921.19 g/mol. Its IUPAC name is 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;4-(1-methylpiperidin-4-yl)aniline.

Molecular Properties

• Compound Name: 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;4-(1-methylpiperidin-4-yl)aniline
• PubChem CID: 167710440
• Molecular Formula: C51H60N12O3S
• Molecular Weight: 921.19 g/mol
• Exact Mass: 920.46
• IUPAC Name: 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;4-(1-methylpiperidin-4-yl)aniline
• SMILES: CN1CCC(c2ccc(N)cc2)CC1.CN1CCC(c2ccc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5)c4n3)cc2)CC1.CS(=O)c1ncc2cc(C#N)c(=O)n(C3CCCC3)c2n1
• InChI: InChI=1S/C25H28N6O.C14H14N4O2S.C12H18N2/c1-30-12-10-18(11-13-30)17-6-8-21(9-7-17)28-25-27-16-20-14-19(15-26)24(32)31(23(20)29-25)22-4-2-3-5-22;1-21(20)14-16-8-10-6-9(7-15)13(19)18(12(10)17-14)11-4-2-3-5-11;1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h6-9,14,16,18,22H,2-5,10-13H2,1H3,(H,27,28,29);6,8,11H,2-5H2,1H3;2-5,11H,6-9,13H2,1H3
• InChIKey: ZTGHKCSKOAEYPN-UHFFFAOYSA-N
• XLogP: 7.92
• TPSA: 204.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	921.19
LogP ≤ 5	7.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;4-(1-methylpiperidin-4-yl)aniline?

The IUPAC name of 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;4-(1-methylpiperidin-4-yl)aniline (CID 167710440) is 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;4-(1-methylpiperidin-4-yl)aniline.

What is the SMILES notation for 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;4-(1-methylpiperidin-4-yl)aniline?

The canonical SMILES for 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;4-(1-methylpiperidin-4-yl)aniline is CN1CCC(c2ccc(N)cc2)CC1.CN1CCC(c2ccc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5)c4n3)cc2)CC1.CS(=O)c1ncc2cc(C#N)c(=O)n(C3CCCC3)c2n1.

What is the InChIKey of 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;4-(1-methylpiperidin-4-yl)aniline?

The InChIKey is ZTGHKCSKOAEYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O.C14H14N4O2S.C12H18N2/c1-30-12-10-18(11-13-30)17-6-8-21(9-7-17)28-25-27-16-20-14-19(15-26)24(32)31(23(20)29-25)22-4-2-3-5-22;1-21(20)14-16-8-10-6-9(7-15)13(19)18(12(10)17-14)11-4-2-3-5-11;1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h6-9,14,16,18,22H,2-5,10-13H2,1H3,(H,27,28,29);6,8,11H,2-5H2,1H3;2-5,11H,6-9,13H2,1H3.

What are the key properties of 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;4-(1-methylpiperidin-4-yl)aniline?

8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;4-(1-methylpiperidin-4-yl)aniline has a molecular weight of 921.19 g/mol, XLogP of 7.92, 7 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;4-(1-methylpiperidin-4-yl)aniline is sourced from PubChem (CID 167710440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).