N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

C94H138N22O5 — CID 158909605

About N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (PubChem CID 158909605) has the molecular formula C94H138N22O5 and a molecular weight of 1656.29 g/mol. Its IUPAC name is N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• PubChem CID: 158909605
• Molecular Formula: C94H138N22O5
• Molecular Weight: 1656.29 g/mol
• Exact Mass: 1655.12
• IUPAC Name: N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• SMILES: C=C1Cc2c(N)nc(OC(C)CCC)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(CCC2CCN(Cc3ccccc3)CC2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(CCC2CCNCC2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(CCCN(Cc2ccccc2)C(=O)CN2CCN(C)CC2)C1
• InChI: InChI=1S/C29H43N7O2.C26H37N5O.C20H27N5O.C19H31N5O/c1-4-5-18-38-29-31-27(30)25-19-23(2)20-36(28(25)32-29)13-9-12-35(21-24-10-7-6-8-11-24)26(37)22-34-16-14-33(3)15-17-34;1-3-4-16-32-26-28-24(27)23-17-20(2)18-31(25(23)29-26)15-12-21-10-13-30(14-11-21)19-22-8-6-5-7-9-22;1-5-6-15(4)26-20-23-18(21)17-9-13(2)11-25(19(17)24-20)12-16-8-7-14(3)22-10-16;1-3-4-11-25-19-22-17(20)16-12-14(2)13-24(18(16)23-19)10-7-15-5-8-21-9-6-15/h6-8,10-11H,2,4-5,9,12-22H2,1,3H3,(H2,30,31,32);5-9,21H,2-4,10-19H2,1H3,(H2,27,28,29);7-8,10,15H,2,5-6,9,11-12H2,1,3-4H3,(H2,21,23,24);15,21H,2-13H2,1H3,(H2,20,22,23)
• InChIKey: JGMAHAFWAOZIDF-UHFFFAOYSA-N
• XLogP: 13.28
• TPSA: 312.03 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 34
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1656.29
LogP ≤ 5	13.28
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The IUPAC name of N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (CID 158909605) is N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is C=C1Cc2c(N)nc(OC(C)CCC)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(CCC2CCN(Cc3ccccc3)CC2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(CCC2CCNCC2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(CCCN(Cc2ccccc2)C(=O)CN2CCN(C)CC2)C1.

What is the InChIKey of N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The InChIKey is JGMAHAFWAOZIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N7O2.C26H37N5O.C20H27N5O.C19H31N5O/c1-4-5-18-38-29-31-27(30)25-19-23(2)20-36(28(25)32-29)13-9-12-35(21-24-10-7-6-8-11-24)26(37)22-34-16-14-33(3)15-17-34;1-3-4-16-32-26-28-24(27)23-17-20(2)18-31(25(23)29-26)15-12-21-10-13-30(14-11-21)19-22-8-6-5-7-9-22;1-5-6-15(4)26-20-23-18(21)17-9-13(2)11-25(19(17)24-20)12-16-8-7-14(3)22-10-16;1-3-4-11-25-19-22-17(20)16-12-14(2)13-24(18(16)23-19)10-7-15-5-8-21-9-6-15/h6-8,10-11H,2,4-5,9,12-22H2,1,3H3,(H2,30,31,32);5-9,21H,2-4,10-19H2,1H3,(H2,27,28,29);7-8,10,15H,2,5-6,9,11-12H2,1,3-4H3,(H2,21,23,24);15,21H,2-13H2,1H3,(H2,20,22,23).

What are the key properties of N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 1656.29 g/mol, XLogP of 13.28, 34 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-amino-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)propyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide;8-[2-(1-benzylpiperidin-4-yl)ethyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-6-methylidene-8-(2-piperidin-4-ylethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-pentan-2-yloxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158909605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).