9-(6-amino-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione);9-(6-methyl-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione

C83H79N25O10 — CID 161369901

IUPAC9-(6-amino-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione);9-(6-methyl-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESCc1ccc(-c2ccc3ncc4c(=O)[nH]c(=O)n(C5CCNCC5)c4c3n2)cn1.Nc1ccc(-c2ccc3ncc4c(=O)[nH]c(=O)n(C5CCNCC5)c4c3n2)cn1.O=c1[nH]c(=O)n(C2CCNCC2)c2c1cnc1ccc(-c3ccc(CO)nc3)nc12.O=c1[nH]c(=O)n(C2CCNCC2)c2c1cnc1ccc(-c3ccc(CO)nc3)nc12
InChIInChI=1S/2C21H20N6O3.C21H20N6O2.C20H19N7O2/c2*28-11-13-2-1-12(9-23-13)16-3-4-17-18(25-16)19-15(10-24-17)20(29)26-21(30)27(19)14-5-7-22-8-6-14;1-12-2-3-13(10-23-12)16-4-5-17-18(25-16)19-15(11-24-17)20(28)26-21(29)27(19)14-6-8-22-9-7-14;21-16-4-1-11(9-24-16)14-2-3-15-17(25-14)18-13(10-23-15)19(28)26-20(29)27(18)12-5-7-22-8-6-12/h2*1-4,9-10,14,22,28H,5-8,11H2,(H,26,29,30);2-5,10-11,14,22H,6-9H2,1H3,(H,26,28,29);1-4,9-10,12,22H,5-8H2,(H2,21,24)(H,26,28,29)
InChIKeyVQIALKFEEMFYBR-UHFFFAOYSA-N
MW1586.71 g/mol
LogP5.35
Rot. Bonds10

About 9-(6-amino-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione);9-(6-methyl-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione

9-(6-amino-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione);9-(6-methyl-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 161369901) has the molecular formula C83H79N25O10 and a molecular weight of 1586.71 g/mol. Its IUPAC name is 9-(6-amino-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione);9-(6-methyl-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

Compound Name9-(6-amino-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione);9-(6-methyl-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
PubChem CID161369901
Molecular FormulaC83H79N25O10
Molecular Weight1586.71 g/mol
Exact Mass1585.64
IUPAC Name9-(6-amino-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione);9-(6-methyl-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESCc1ccc(-c2ccc3ncc4c(=O)[nH]c(=O)n(C5CCNCC5)c4c3n2)cn1.Nc1ccc(-c2ccc3ncc4c(=O)[nH]c(=O)n(C5CCNCC5)c4c3n2)cn1.O=c1[nH]c(=O)n(C2CCNCC2)c2c1cnc1ccc(-c3ccc(CO)nc3)nc12.O=c1[nH]c(=O)n(C2CCNCC2)c2c1cnc1ccc(-c3ccc(CO)nc3)nc12
InChIInChI=1S/2C21H20N6O3.C21H20N6O2.C20H19N7O2/c2*28-11-13-2-1-12(9-23-13)16-3-4-17-18(25-16)19-15(10-24-17)20(29)26-21(30)27(19)14-5-7-22-8-6-14;1-12-2-3-13(10-23-12)16-4-5-17-18(25-16)19-15(11-24-17)20(28)26-21(29)27(19)14-6-8-22-9-7-14;21-16-4-1-11(9-24-16)14-2-3-15-17(25-14)18-13(10-23-15)19(28)26-20(29)27(18)12-5-7-22-8-6-12/h2*1-4,9-10,14,22,28H,5-8,11H2,(H,26,29,30);2-5,10-11,14,22H,6-9H2,1H3,(H,26,28,29);1-4,9-10,12,22H,5-8H2,(H2,21,24)(H,26,28,29)
InChIKeyVQIALKFEEMFYBR-UHFFFAOYSA-N
XLogP5.35
TPSA488.72 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds10
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001586.71
LogP ≤ 55.35
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-(6-amino-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione);9-(6-methyl-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(6-amino-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione);9-(6-methyl-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The IUPAC name of 9-(6-amino-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione);9-(6-methyl-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 161369901) is 9-(6-amino-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione);9-(6-methyl-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione.
What is the SMILES notation for 9-(6-amino-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione);9-(6-methyl-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The canonical SMILES for 9-(6-amino-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione);9-(6-methyl-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione is Cc1ccc(-c2ccc3ncc4c(=O)[nH]c(=O)n(C5CCNCC5)c4c3n2)cn1.Nc1ccc(-c2ccc3ncc4c(=O)[nH]c(=O)n(C5CCNCC5)c4c3n2)cn1.O=c1[nH]c(=O)n(C2CCNCC2)c2c1cnc1ccc(-c3ccc(CO)nc3)nc12.O=c1[nH]c(=O)n(C2CCNCC2)c2c1cnc1ccc(-c3ccc(CO)nc3)nc12.
What is the InChIKey of 9-(6-amino-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione);9-(6-methyl-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The InChIKey is VQIALKFEEMFYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20N6O3.C21H20N6O2.C20H19N7O2/c2*28-11-13-2-1-12(9-23-13)16-3-4-17-18(25-16)19-15(10-24-17)20(29)26-21(30)27(19)14-5-7-22-8-6-14;1-12-2-3-13(10-23-12)16-4-5-17-18(25-16)19-15(11-24-17)20(28)26-21(29)27(19)14-6-8-22-9-7-14;21-16-4-1-11(9-24-16)14-2-3-15-17(25-14)18-13(10-23-15)19(28)26-20(29)27(18)12-5-7-22-8-6-12/h2*1-4,9-10,14,22,28H,5-8,11H2,(H,26,29,30);2-5,10-11,14,22H,6-9H2,1H3,(H,26,28,29);1-4,9-10,12,22H,5-8H2,(H2,21,24)(H,26,28,29).
What are the key properties of 9-(6-amino-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione);9-(6-methyl-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
9-(6-amino-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione);9-(6-methyl-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 1586.71 g/mol, XLogP of 5.35, 10 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-amino-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione);9-(6-methyl-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 161369901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).