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

C48H46N12O6 — CID 66887505

IUPAC6-(4-methoxypyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;N-[5-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)cn1.COc1ncncc1-c1cc2cc[nH]c(=O)c2c(Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C25H24N6O3.C23H22N6O3/c1-16(32)28-22-7-2-18(15-27-22)21-14-17-8-9-26-25(33)23(17)24(30-21)29-19-3-5-20(6-4-19)31-10-12-34-13-11-31;1-31-23-18(13-24-14-26-23)19-12-15-6-7-25-22(30)20(15)21(28-19)27-16-2-4-17(5-3-16)29-8-10-32-11-9-29/h2-9,14-15H,10-13H2,1H3,(H,26,33)(H,29,30)(H,27,28,32);2-7,12-14H,8-11H2,1H3,(H,25,30)(H,27,28)
InChIKeyMNNROBTYLDMXOB-UHFFFAOYSA-N
MW886.97 g/mol
LogP6.49
Rot. Bonds10

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

6-(4-methoxypyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;N-[5-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide (PubChem CID 66887505) has the molecular formula C48H46N12O6 and a molecular weight of 886.97 g/mol. Its IUPAC name is 6-(4-methoxypyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;N-[5-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name6-(4-methoxypyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;N-[5-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide
PubChem CID66887505
Molecular FormulaC48H46N12O6
Molecular Weight886.97 g/mol
Exact Mass886.37
IUPAC Name6-(4-methoxypyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;N-[5-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)cn1.COc1ncncc1-c1cc2cc[nH]c(=O)c2c(Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C25H24N6O3.C23H22N6O3/c1-16(32)28-22-7-2-18(15-27-22)21-14-17-8-9-26-25(33)23(17)24(30-21)29-19-3-5-20(6-4-19)31-10-12-34-13-11-31;1-31-23-18(13-24-14-26-23)19-12-15-6-7-25-22(30)20(15)21(28-19)27-16-2-4-17(5-3-16)29-8-10-32-11-9-29/h2-9,14-15H,10-13H2,1H3,(H,26,33)(H,29,30)(H,27,28,32);2-7,12-14H,8-11H2,1H3,(H,25,30)(H,27,28)
InChIKeyMNNROBTYLDMXOB-UHFFFAOYSA-N
XLogP6.49
TPSA217.50 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500886.97
LogP ≤ 56.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxypyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;N-[5-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide?
The IUPAC name of 6-(4-methoxypyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;N-[5-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide (CID 66887505) is 6-(4-methoxypyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;N-[5-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for 6-(4-methoxypyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;N-[5-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide?
The canonical SMILES for 6-(4-methoxypyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;N-[5-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)cn1.COc1ncncc1-c1cc2cc[nH]c(=O)c2c(Nc2ccc(N3CCOCC3)cc2)n1.
What is the InChIKey of 6-(4-methoxypyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;N-[5-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide?
The InChIKey is MNNROBTYLDMXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3.C23H22N6O3/c1-16(32)28-22-7-2-18(15-27-22)21-14-17-8-9-26-25(33)23(17)24(30-21)29-19-3-5-20(6-4-19)31-10-12-34-13-11-31;1-31-23-18(13-24-14-26-23)19-12-15-6-7-25-22(30)20(15)21(28-19)27-16-2-4-17(5-3-16)29-8-10-32-11-9-29/h2-9,14-15H,10-13H2,1H3,(H,26,33)(H,29,30)(H,27,28,32);2-7,12-14H,8-11H2,1H3,(H,25,30)(H,27,28).
What are the key properties of 6-(4-methoxypyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;N-[5-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide?
6-(4-methoxypyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;N-[5-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide has a molecular weight of 886.97 g/mol, XLogP of 6.49, 10 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxypyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;N-[5-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 66887505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).