7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-[[5-(dimethylamino)-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[[5-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[(2-oxo-1H-pyrimidin-6-yl)amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-3-phenyl-7-(pyrimidin-4-ylamino)-1,6-naphthyridin-2-one

C109H111N25O8 — CID 157110703

IUPAC7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-[[5-(dimethylamino)-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[[5-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[(2-oxo-1H-pyrimidin-6-yl)amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-3-phenyl-7-(pyrimidin-4-ylamino)-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(C(C)C)c(=O)n3C)nc1.CCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccc(N(C)C)cn3)cc21.CCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccc(NCCO)cn3)cc21.CCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccnc(=O)[nH]3)cc21.CCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccncn3)cc21
InChIInChI=1S/C23H23N5O2.C23H31N5O2.C23H23N5O.C20H17N5O2.C20H17N5O/c1-2-28-20-13-22(27-21-9-8-18(15-26-21)24-10-11-29)25-14-17(20)12-19(23(28)30)16-6-4-3-5-7-16;1-6-28(7-2)10-11-30-18-8-9-21(25-15-18)26-22-13-20-17(14-24-22)12-19(16(3)4)23(29)27(20)5;1-4-28-20-13-22(26-21-11-10-18(15-25-21)27(2)3)24-14-17(20)12-19(23(28)29)16-8-6-5-7-9-16;1-2-25-16-11-18(23-17-8-9-21-20(27)24-17)22-12-14(16)10-15(19(25)26)13-6-4-3-5-7-13;1-2-25-17-11-19(24-18-8-9-21-13-23-18)22-12-15(17)10-16(20(25)26)14-6-4-3-5-7-14/h3-9,12-15,24,29H,2,10-11H2,1H3,(H,25,26,27);8-9,12-16H,6-7,10-11H2,1-5H3,(H,24,25,26);5-15H,4H2,1-3H3,(H,24,25,26);3-12H,2H2,1H3,(H2,21,22,23,24,27);3-13H,2H2,1H3,(H,21,22,23,24)
InChIKeyAGUWBGIHEXSQCE-UHFFFAOYSA-N
MW1899.25 g/mol
LogP18.36
Rot. Bonds29

About 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-[[5-(dimethylamino)-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[[5-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[(2-oxo-1H-pyrimidin-6-yl)amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-3-phenyl-7-(pyrimidin-4-ylamino)-1,6-naphthyridin-2-one

7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-[[5-(dimethylamino)-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[[5-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[(2-oxo-1H-pyrimidin-6-yl)amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-3-phenyl-7-(pyrimidin-4-ylamino)-1,6-naphthyridin-2-one (PubChem CID 157110703) has the molecular formula C109H111N25O8 and a molecular weight of 1899.25 g/mol. Its IUPAC name is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-[[5-(dimethylamino)-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[[5-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[(2-oxo-1H-pyrimidin-6-yl)amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-3-phenyl-7-(pyrimidin-4-ylamino)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-[[5-(dimethylamino)-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[[5-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[(2-oxo-1H-pyrimidin-6-yl)amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-3-phenyl-7-(pyrimidin-4-ylamino)-1,6-naphthyridin-2-one
PubChem CID157110703
Molecular FormulaC109H111N25O8
Molecular Weight1899.25 g/mol
Exact Mass1897.90
IUPAC Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-[[5-(dimethylamino)-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[[5-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[(2-oxo-1H-pyrimidin-6-yl)amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-3-phenyl-7-(pyrimidin-4-ylamino)-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(C(C)C)c(=O)n3C)nc1.CCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccc(N(C)C)cn3)cc21.CCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccc(NCCO)cn3)cc21.CCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccnc(=O)[nH]3)cc21.CCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccncn3)cc21
InChIInChI=1S/C23H23N5O2.C23H31N5O2.C23H23N5O.C20H17N5O2.C20H17N5O/c1-2-28-20-13-22(27-21-9-8-18(15-26-21)24-10-11-29)25-14-17(20)12-19(23(28)30)16-6-4-3-5-7-16;1-6-28(7-2)10-11-30-18-8-9-21(25-15-18)26-22-13-20-17(14-24-22)12-19(16(3)4)23(29)27(20)5;1-4-28-20-13-22(26-21-11-10-18(15-25-21)27(2)3)24-14-17(20)12-19(23(28)29)16-8-6-5-7-9-16;1-2-25-16-11-18(23-17-8-9-21-20(27)24-17)22-12-14(16)10-15(19(25)26)13-6-4-3-5-7-13;1-2-25-17-11-19(24-18-8-9-21-13-23-18)22-12-15(17)10-16(20(25)26)14-6-4-3-5-7-14/h3-9,12-15,24,29H,2,10-11H2,1H3,(H,25,26,27);8-9,12-16H,6-7,10-11H2,1-5H3,(H,24,25,26);5-15H,4H2,1-3H3,(H,24,25,26);3-12H,2H2,1H3,(H2,21,22,23,24,27);3-13H,2H2,1H3,(H,21,22,23,24)
InChIKeyAGUWBGIHEXSQCE-UHFFFAOYSA-N
XLogP18.36
TPSA392.77 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds29
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001899.25
LogP ≤ 518.36
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-[[5-(dimethylamino)-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[[5-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[(2-oxo-1H-pyrimidin-6-yl)amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-3-phenyl-7-(pyrimidin-4-ylamino)-1,6-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-[[5-(dimethylamino)-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[[5-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[(2-oxo-1H-pyrimidin-6-yl)amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-3-phenyl-7-(pyrimidin-4-ylamino)-1,6-naphthyridin-2-one?
The IUPAC name of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-[[5-(dimethylamino)-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[[5-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[(2-oxo-1H-pyrimidin-6-yl)amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-3-phenyl-7-(pyrimidin-4-ylamino)-1,6-naphthyridin-2-one (CID 157110703) is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-[[5-(dimethylamino)-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[[5-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[(2-oxo-1H-pyrimidin-6-yl)amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-3-phenyl-7-(pyrimidin-4-ylamino)-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-[[5-(dimethylamino)-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[[5-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[(2-oxo-1H-pyrimidin-6-yl)amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-3-phenyl-7-(pyrimidin-4-ylamino)-1,6-naphthyridin-2-one?
The canonical SMILES for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-[[5-(dimethylamino)-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[[5-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[(2-oxo-1H-pyrimidin-6-yl)amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-3-phenyl-7-(pyrimidin-4-ylamino)-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(C(C)C)c(=O)n3C)nc1.CCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccc(N(C)C)cn3)cc21.CCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccc(NCCO)cn3)cc21.CCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccnc(=O)[nH]3)cc21.CCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccncn3)cc21.
What is the InChIKey of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-[[5-(dimethylamino)-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[[5-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[(2-oxo-1H-pyrimidin-6-yl)amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-3-phenyl-7-(pyrimidin-4-ylamino)-1,6-naphthyridin-2-one?
The InChIKey is AGUWBGIHEXSQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2.C23H31N5O2.C23H23N5O.C20H17N5O2.C20H17N5O/c1-2-28-20-13-22(27-21-9-8-18(15-26-21)24-10-11-29)25-14-17(20)12-19(23(28)30)16-6-4-3-5-7-16;1-6-28(7-2)10-11-30-18-8-9-21(25-15-18)26-22-13-20-17(14-24-22)12-19(16(3)4)23(29)27(20)5;1-4-28-20-13-22(26-21-11-10-18(15-25-21)27(2)3)24-14-17(20)12-19(23(28)29)16-8-6-5-7-9-16;1-2-25-16-11-18(23-17-8-9-21-20(27)24-17)22-12-14(16)10-15(19(25)26)13-6-4-3-5-7-13;1-2-25-17-11-19(24-18-8-9-21-13-23-18)22-12-15(17)10-16(20(25)26)14-6-4-3-5-7-14/h3-9,12-15,24,29H,2,10-11H2,1H3,(H,25,26,27);8-9,12-16H,6-7,10-11H2,1-5H3,(H,24,25,26);5-15H,4H2,1-3H3,(H,24,25,26);3-12H,2H2,1H3,(H2,21,22,23,24,27);3-13H,2H2,1H3,(H,21,22,23,24).
What are the key properties of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-[[5-(dimethylamino)-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[[5-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[(2-oxo-1H-pyrimidin-6-yl)amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-3-phenyl-7-(pyrimidin-4-ylamino)-1,6-naphthyridin-2-one?
7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-[[5-(dimethylamino)-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[[5-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[(2-oxo-1H-pyrimidin-6-yl)amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-3-phenyl-7-(pyrimidin-4-ylamino)-1,6-naphthyridin-2-one has a molecular weight of 1899.25 g/mol, XLogP of 18.36, 29 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-[[5-(dimethylamino)-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[[5-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-7-[(2-oxo-1H-pyrimidin-6-yl)amino]-3-phenyl-1,6-naphthyridin-2-one;1-ethyl-3-phenyl-7-(pyrimidin-4-ylamino)-1,6-naphthyridin-2-one is sourced from PubChem (CID 157110703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).