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;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;methane

C74H111N17O5 — CID 158297668

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;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;methane

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;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;methane (PubChem CID 158297668) has the molecular formula C74H111N17O5 and a molecular weight of 1318.82 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;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;methane.

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;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;methane
• PubChem CID: 158297668
• Molecular Formula: C74H111N17O5
• Molecular Weight: 1318.82 g/mol
• Exact Mass: 1317.90
• 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;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;methane
• SMILES: C.C=C1Cc2c(N)nc(OCCCC)nc2N(CCC2CCN(CC3CC3)CC2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(CCCN(Cc2ccccc2)C(=O)CN2CCN(C)CC2)C1.CCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)C2
• InChI: InChI=1S/C29H43N7O2.C23H37N5O.C21H27N5O2.CH4/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;1-3-4-13-29-23-25-21(24)20-14-17(2)15-28(22(20)26-23)12-9-18-7-10-27(11-8-18)16-19-5-6-19;1-2-28-21-23-19(22)18-11-17(27)14-26(20(18)24-21)13-16-7-5-6-15(10-16)12-25-8-3-4-9-25;/h6-8,10-11H,2,4-5,9,12-22H2,1,3H3,(H2,30,31,32);18-19H,2-16H2,1H3,(H2,24,25,26);5-7,10H,2-4,8-9,11-14H2,1H3,(H2,22,23,24);1H4
• InChIKey: GMCMICQLWLWJGS-UHFFFAOYSA-N
• XLogP: 9.31
• TPSA: 243.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 27
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1318.82
LogP ≤ 5	9.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

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;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;methane?

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;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;methane (CID 158297668) 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;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;methane.

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;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;methane?

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;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;methane is C.C=C1Cc2c(N)nc(OCCCC)nc2N(CCC2CCN(CC3CC3)CC2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(CCCN(Cc2ccccc2)C(=O)CN2CCN(C)CC2)C1.CCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)C2.

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;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;methane?

The InChIKey is GMCMICQLWLWJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N7O2.C23H37N5O.C21H27N5O2.CH4/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;1-3-4-13-29-23-25-21(24)20-14-17(2)15-28(22(20)26-23)12-9-18-7-10-27(11-8-18)16-19-5-6-19;1-2-28-21-23-19(22)18-11-17(27)14-26(20(18)24-21)13-16-7-5-6-15(10-16)12-25-8-3-4-9-25;/h6-8,10-11H,2,4-5,9,12-22H2,1,3H3,(H2,30,31,32);18-19H,2-16H2,1H3,(H2,24,25,26);5-7,10H,2-4,8-9,11-14H2,1H3,(H2,22,23,24);1H4.

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;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;methane?

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;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;methane has a molecular weight of 1318.82 g/mol, XLogP of 9.31, 27 rotatable bonds, 3 hydrogen bond donors, and 21 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;4-amino-2-ethoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;methane is sourced from PubChem (CID 158297668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).