3-amino-N-[2-(dimethylamino)ethyl]benzamide;3-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzamide;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

C49H58N14O5S — CID 167704008

About 3-amino-N-[2-(dimethylamino)ethyl]benzamide;3-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzamide;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

3-amino-N-[2-(dimethylamino)ethyl]benzamide;3-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzamide;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 167704008) has the molecular formula C49H58N14O5S and a molecular weight of 955.16 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)ethyl]benzamide;3-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzamide;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

• Compound Name: 3-amino-N-[2-(dimethylamino)ethyl]benzamide;3-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzamide;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
• PubChem CID: 167704008
• Molecular Formula: C49H58N14O5S
• Molecular Weight: 955.16 g/mol
• Exact Mass: 954.44
• IUPAC Name: 3-amino-N-[2-(dimethylamino)ethyl]benzamide;3-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzamide;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
• SMILES: CN(C)CCNC(=O)c1cccc(N)c1.CN(C)CCNC(=O)c1cccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)c1.CS(=O)c1ncc2cc(C#N)c(=O)n(C3CCCC3)c2n1
• InChI: InChI=1S/C24H27N7O2.C14H14N4O2S.C11H17N3O/c1-30(2)11-10-26-22(32)16-6-5-7-19(13-16)28-24-27-15-18-12-17(14-25)23(33)31(21(18)29-24)20-8-3-4-9-20;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(2)7-6-13-11(15)9-4-3-5-10(12)8-9/h5-7,12-13,15,20H,3-4,8-11H2,1-2H3,(H,26,32)(H,27,28,29);6,8,11H,2-5H2,1H3;3-5,8H,6-7,12H2,1-2H3,(H,13,15)
• InChIKey: YVDRELRQMLFOGZ-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 262.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	955.16
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)ethyl]benzamide;3-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzamide;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?

The IUPAC name of 3-amino-N-[2-(dimethylamino)ethyl]benzamide;3-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzamide;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (CID 167704008) is 3-amino-N-[2-(dimethylamino)ethyl]benzamide;3-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzamide;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.

What is the SMILES notation for 3-amino-N-[2-(dimethylamino)ethyl]benzamide;3-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzamide;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?

The canonical SMILES for 3-amino-N-[2-(dimethylamino)ethyl]benzamide;3-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzamide;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is CN(C)CCNC(=O)c1cccc(N)c1.CN(C)CCNC(=O)c1cccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)c1.CS(=O)c1ncc2cc(C#N)c(=O)n(C3CCCC3)c2n1.

What is the InChIKey of 3-amino-N-[2-(dimethylamino)ethyl]benzamide;3-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzamide;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?

The InChIKey is YVDRELRQMLFOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2.C14H14N4O2S.C11H17N3O/c1-30(2)11-10-26-22(32)16-6-5-7-19(13-16)28-24-27-15-18-12-17(14-25)23(33)31(21(18)29-24)20-8-3-4-9-20;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(2)7-6-13-11(15)9-4-3-5-10(12)8-9/h5-7,12-13,15,20H,3-4,8-11H2,1-2H3,(H,26,32)(H,27,28,29);6,8,11H,2-5H2,1H3;3-5,8H,6-7,12H2,1-2H3,(H,13,15).

What are the key properties of 3-amino-N-[2-(dimethylamino)ethyl]benzamide;3-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzamide;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?

3-amino-N-[2-(dimethylamino)ethyl]benzamide;3-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzamide;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 955.16 g/mol, XLogP of 4.89, 13 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-(dimethylamino)ethyl]benzamide;3-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzamide;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 167704008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).