7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;1,3-diethyl-2-methylidene-N-(5-methyl-2-pyridinyl)-1,6-naphthyridin-7-amine

C107H126N20O7 — CID 157436573

IUPAC7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;1,3-diethyl-2-methylidene-N-(5-methyl-2-pyridinyl)-1,6-naphthyridin-7-amine
SMILESC=C1C(CC)=Cc2cnc(Nc3ccc(C)cn3)cc2N1CC.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3C2CCN(C)CC2)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3C2CCOC2)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(C(C)C)c(=O)n3-c2ccccc2)nc1
InChIInChI=1S/C31H38N6O2.C29H33N5O3.C28H33N5O2.C19H22N4/c1-4-36(5-2)17-18-39-26-11-12-29(33-22-26)34-30-20-28-24(21-32-30)19-27(23-9-7-6-8-10-23)31(38)37(28)25-13-15-35(3)16-14-25;1-3-33(4-2)13-15-37-24-10-11-27(31-19-24)32-28-17-26-22(18-30-28)16-25(21-8-6-5-7-9-21)29(35)34(26)23-12-14-36-20-23;1-5-32(6-2)14-15-35-23-12-13-26(30-19-23)31-27-17-25-21(18-29-27)16-24(20(3)4)28(34)33(25)22-10-8-7-9-11-22;1-5-15-9-16-12-21-19(10-17(16)23(6-2)14(15)4)22-18-8-7-13(3)11-20-18/h6-12,19-22,25H,4-5,13-18H2,1-3H3,(H,32,33,34);5-11,16-19,23H,3-4,12-15,20H2,1-2H3,(H,30,31,32);7-13,16-20H,5-6,14-15H2,1-4H3,(H,29,30,31);7-12H,4-6H2,1-3H3,(H,20,21,22)
InChIKeyBREDXGXRKSSUPM-UHFFFAOYSA-N
MW1804.32 g/mol
LogP20.12
Rot. Bonds34

About 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;1,3-diethyl-2-methylidene-N-(5-methyl-2-pyridinyl)-1,6-naphthyridin-7-amine

7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;1,3-diethyl-2-methylidene-N-(5-methyl-2-pyridinyl)-1,6-naphthyridin-7-amine (PubChem CID 157436573) has the molecular formula C107H126N20O7 and a molecular weight of 1804.32 g/mol. Its IUPAC name is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;1,3-diethyl-2-methylidene-N-(5-methyl-2-pyridinyl)-1,6-naphthyridin-7-amine.

Molecular Properties

Compound Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;1,3-diethyl-2-methylidene-N-(5-methyl-2-pyridinyl)-1,6-naphthyridin-7-amine
PubChem CID157436573
Molecular FormulaC107H126N20O7
Molecular Weight1804.32 g/mol
Exact Mass1803.01
IUPAC Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;1,3-diethyl-2-methylidene-N-(5-methyl-2-pyridinyl)-1,6-naphthyridin-7-amine
SMILESC=C1C(CC)=Cc2cnc(Nc3ccc(C)cn3)cc2N1CC.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3C2CCN(C)CC2)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3C2CCOC2)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(C(C)C)c(=O)n3-c2ccccc2)nc1
InChIInChI=1S/C31H38N6O2.C29H33N5O3.C28H33N5O2.C19H22N4/c1-4-36(5-2)17-18-39-26-11-12-29(33-22-26)34-30-20-28-24(21-32-30)19-27(23-9-7-6-8-10-23)31(38)37(28)25-13-15-35(3)16-14-25;1-3-33(4-2)13-15-37-24-10-11-27(31-19-24)32-28-17-26-22(18-30-28)16-25(21-8-6-5-7-9-21)29(35)34(26)23-12-14-36-20-23;1-5-32(6-2)14-15-35-23-12-13-26(30-19-23)31-27-17-25-21(18-29-27)16-24(20(3)4)28(34)33(25)22-10-8-7-9-11-22;1-5-15-9-16-12-21-19(10-17(16)23(6-2)14(15)4)22-18-8-7-13(3)11-20-18/h6-12,19-22,25H,4-5,13-18H2,1-3H3,(H,32,33,34);5-11,16-19,23H,3-4,12-15,20H2,1-2H3,(H,30,31,32);7-13,16-20H,5-6,14-15H2,1-4H3,(H,29,30,31);7-12H,4-6H2,1-3H3,(H,20,21,22)
InChIKeyBREDXGXRKSSUPM-UHFFFAOYSA-N
XLogP20.12
TPSA270.36 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds34
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001804.32
LogP ≤ 520.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;1,3-diethyl-2-methylidene-N-(5-methyl-2-pyridinyl)-1,6-naphthyridin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;1,3-diethyl-2-methylidene-N-(5-methyl-2-pyridinyl)-1,6-naphthyridin-7-amine?
The IUPAC name of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;1,3-diethyl-2-methylidene-N-(5-methyl-2-pyridinyl)-1,6-naphthyridin-7-amine (CID 157436573) is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;1,3-diethyl-2-methylidene-N-(5-methyl-2-pyridinyl)-1,6-naphthyridin-7-amine.
What is the SMILES notation for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;1,3-diethyl-2-methylidene-N-(5-methyl-2-pyridinyl)-1,6-naphthyridin-7-amine?
The canonical SMILES for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;1,3-diethyl-2-methylidene-N-(5-methyl-2-pyridinyl)-1,6-naphthyridin-7-amine is C=C1C(CC)=Cc2cnc(Nc3ccc(C)cn3)cc2N1CC.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3C2CCN(C)CC2)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3C2CCOC2)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(C(C)C)c(=O)n3-c2ccccc2)nc1.
What is the InChIKey of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;1,3-diethyl-2-methylidene-N-(5-methyl-2-pyridinyl)-1,6-naphthyridin-7-amine?
The InChIKey is BREDXGXRKSSUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N6O2.C29H33N5O3.C28H33N5O2.C19H22N4/c1-4-36(5-2)17-18-39-26-11-12-29(33-22-26)34-30-20-28-24(21-32-30)19-27(23-9-7-6-8-10-23)31(38)37(28)25-13-15-35(3)16-14-25;1-3-33(4-2)13-15-37-24-10-11-27(31-19-24)32-28-17-26-22(18-30-28)16-25(21-8-6-5-7-9-21)29(35)34(26)23-12-14-36-20-23;1-5-32(6-2)14-15-35-23-12-13-26(30-19-23)31-27-17-25-21(18-29-27)16-24(20(3)4)28(34)33(25)22-10-8-7-9-11-22;1-5-15-9-16-12-21-19(10-17(16)23(6-2)14(15)4)22-18-8-7-13(3)11-20-18/h6-12,19-22,25H,4-5,13-18H2,1-3H3,(H,32,33,34);5-11,16-19,23H,3-4,12-15,20H2,1-2H3,(H,30,31,32);7-13,16-20H,5-6,14-15H2,1-4H3,(H,29,30,31);7-12H,4-6H2,1-3H3,(H,20,21,22).
What are the key properties of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;1,3-diethyl-2-methylidene-N-(5-methyl-2-pyridinyl)-1,6-naphthyridin-7-amine?
7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;1,3-diethyl-2-methylidene-N-(5-methyl-2-pyridinyl)-1,6-naphthyridin-7-amine has a molecular weight of 1804.32 g/mol, XLogP of 20.12, 34 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-3-phenyl-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;1,3-diethyl-2-methylidene-N-(5-methyl-2-pyridinyl)-1,6-naphthyridin-7-amine is sourced from PubChem (CID 157436573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).