N-[5-[1-[4-(1-methylpiperidin-4-yl)anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide;8-[3-(2-morpholin-4-ylethoxy)anilino]-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one

C49H52F3N11O5 — CID 87192323

IUPACN-[5-[1-[4-(1-methylpiperidin-4-yl)anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide;8-[3-(2-morpholin-4-ylethoxy)anilino]-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one
SMILESCC(=O)Nc1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(C)CC4)cc3)n2)cn1.O=c1[nH]ccc2cc(NCC(F)(F)F)nc(Nc3cccc(OCCN4CCOCC4)c3)c12
InChIInChI=1S/C27H28N6O2.C22H24F3N5O3/c1-17(34)30-24-8-5-21(16-29-24)23-15-20-9-12-28-27(35)25(20)26(32-23)31-22-6-3-18(4-7-22)19-10-13-33(2)14-11-19;23-22(24,25)14-27-18-12-15-4-5-26-21(31)19(15)20(29-18)28-16-2-1-3-17(13-16)33-11-8-30-6-9-32-10-7-30/h3-9,12,15-16,19H,10-11,13-14H2,1-2H3,(H,28,35)(H,31,32)(H,29,30,34);1-5,12-13H,6-11,14H2,(H,26,31)(H2,27,28,29)
InChIKeyHNSXBFKSSSIYKZ-UHFFFAOYSA-N
MW932.02 g/mol
LogP7.85
Rot. Bonds13

About N-[5-[1-[4-(1-methylpiperidin-4-yl)anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide;8-[3-(2-morpholin-4-ylethoxy)anilino]-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one

N-[5-[1-[4-(1-methylpiperidin-4-yl)anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide;8-[3-(2-morpholin-4-ylethoxy)anilino]-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one (PubChem CID 87192323) has the molecular formula C49H52F3N11O5 and a molecular weight of 932.02 g/mol. Its IUPAC name is N-[5-[1-[4-(1-methylpiperidin-4-yl)anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide;8-[3-(2-morpholin-4-ylethoxy)anilino]-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound NameN-[5-[1-[4-(1-methylpiperidin-4-yl)anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide;8-[3-(2-morpholin-4-ylethoxy)anilino]-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one
PubChem CID87192323
Molecular FormulaC49H52F3N11O5
Molecular Weight932.02 g/mol
Exact Mass931.41
IUPAC NameN-[5-[1-[4-(1-methylpiperidin-4-yl)anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide;8-[3-(2-morpholin-4-ylethoxy)anilino]-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one
SMILESCC(=O)Nc1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(C)CC4)cc3)n2)cn1.O=c1[nH]ccc2cc(NCC(F)(F)F)nc(Nc3cccc(OCCN4CCOCC4)c3)c12
InChIInChI=1S/C27H28N6O2.C22H24F3N5O3/c1-17(34)30-24-8-5-21(16-29-24)23-15-20-9-12-28-27(35)25(20)26(32-23)31-22-6-3-18(4-7-22)19-10-13-33(2)14-11-19;23-22(24,25)14-27-18-12-15-4-5-26-21(31)19(15)20(29-18)28-16-2-1-3-17(13-16)33-11-8-30-6-9-32-10-7-30/h3-9,12,15-16,19H,10-11,13-14H2,1-2H3,(H,28,35)(H,31,32)(H,29,30,34);1-5,12-13H,6-11,14H2,(H,26,31)(H2,27,28,29)
InChIKeyHNSXBFKSSSIYKZ-UHFFFAOYSA-N
XLogP7.85
TPSA194.52 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms68
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500932.02
LogP ≤ 57.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze N-[5-[1-[4-(1-methylpiperidin-4-yl)anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide;8-[3-(2-morpholin-4-ylethoxy)anilino]-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[4-(1-methylpiperidin-4-yl)anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide;8-[3-(2-morpholin-4-ylethoxy)anilino]-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of N-[5-[1-[4-(1-methylpiperidin-4-yl)anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide;8-[3-(2-morpholin-4-ylethoxy)anilino]-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one (CID 87192323) is N-[5-[1-[4-(1-methylpiperidin-4-yl)anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide;8-[3-(2-morpholin-4-ylethoxy)anilino]-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for N-[5-[1-[4-(1-methylpiperidin-4-yl)anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide;8-[3-(2-morpholin-4-ylethoxy)anilino]-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for N-[5-[1-[4-(1-methylpiperidin-4-yl)anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide;8-[3-(2-morpholin-4-ylethoxy)anilino]-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one is CC(=O)Nc1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(C)CC4)cc3)n2)cn1.O=c1[nH]ccc2cc(NCC(F)(F)F)nc(Nc3cccc(OCCN4CCOCC4)c3)c12.
What is the InChIKey of N-[5-[1-[4-(1-methylpiperidin-4-yl)anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide;8-[3-(2-morpholin-4-ylethoxy)anilino]-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one?
The InChIKey is HNSXBFKSSSIYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2.C22H24F3N5O3/c1-17(34)30-24-8-5-21(16-29-24)23-15-20-9-12-28-27(35)25(20)26(32-23)31-22-6-3-18(4-7-22)19-10-13-33(2)14-11-19;23-22(24,25)14-27-18-12-15-4-5-26-21(31)19(15)20(29-18)28-16-2-1-3-17(13-16)33-11-8-30-6-9-32-10-7-30/h3-9,12,15-16,19H,10-11,13-14H2,1-2H3,(H,28,35)(H,31,32)(H,29,30,34);1-5,12-13H,6-11,14H2,(H,26,31)(H2,27,28,29).
What are the key properties of N-[5-[1-[4-(1-methylpiperidin-4-yl)anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide;8-[3-(2-morpholin-4-ylethoxy)anilino]-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one?
N-[5-[1-[4-(1-methylpiperidin-4-yl)anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide;8-[3-(2-morpholin-4-ylethoxy)anilino]-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one has a molecular weight of 932.02 g/mol, XLogP of 7.85, 13 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[4-(1-methylpiperidin-4-yl)anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide;8-[3-(2-morpholin-4-ylethoxy)anilino]-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 87192323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).