6-(6-amino-5-methyl-3-pyridinyl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one;1-[2-[4-[[3-(2-methoxypyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]ethyl]piperidine-3-carboxylic acid

C55H60N12O6 — CID 87191741

IUPAC6-(6-amino-5-methyl-3-pyridinyl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one;1-[2-[4-[[3-(2-methoxypyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]ethyl]piperidine-3-carboxylic acid
SMILESCOCCN1CCC(c2ccc(Nc3nc(-c4cnc(N)c(C)c4)cc4cc[nH]c(=O)c34)cc2)CC1.COc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(CCN4CCCC(C(=O)O)C4)cc3)n2)cn1
InChIInChI=1S/C28H32N6O2.C27H28N6O4/c1-18-15-22(17-31-26(18)29)24-16-21-7-10-30-28(35)25(21)27(33-24)32-23-5-3-19(4-6-23)20-8-11-34(12-9-20)13-14-36-2;1-37-27-29-14-20(15-30-27)22-13-18-8-10-28-25(34)23(18)24(32-22)31-21-6-4-17(5-7-21)9-12-33-11-2-3-19(16-33)26(35)36/h3-7,10,15-17,20H,8-9,11-14H2,1-2H3,(H2,29,31)(H,30,35)(H,32,33);4-8,10,13-15,19H,2-3,9,11-12,16H2,1H3,(H,28,34)(H,31,32)(H,35,36)
InChIKeyZYINVPUDXKLPJR-UHFFFAOYSA-N
MW985.16 g/mol
LogP7.92
Rot. Bonds15

About 6-(6-amino-5-methyl-3-pyridinyl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one;1-[2-[4-[[3-(2-methoxypyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]ethyl]piperidine-3-carboxylic acid

6-(6-amino-5-methyl-3-pyridinyl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one;1-[2-[4-[[3-(2-methoxypyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]ethyl]piperidine-3-carboxylic acid (PubChem CID 87191741) has the molecular formula C55H60N12O6 and a molecular weight of 985.16 g/mol. Its IUPAC name is 6-(6-amino-5-methyl-3-pyridinyl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one;1-[2-[4-[[3-(2-methoxypyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-(6-amino-5-methyl-3-pyridinyl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one;1-[2-[4-[[3-(2-methoxypyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]ethyl]piperidine-3-carboxylic acid
PubChem CID87191741
Molecular FormulaC55H60N12O6
Molecular Weight985.16 g/mol
Exact Mass984.48
IUPAC Name6-(6-amino-5-methyl-3-pyridinyl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one;1-[2-[4-[[3-(2-methoxypyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]ethyl]piperidine-3-carboxylic acid
SMILESCOCCN1CCC(c2ccc(Nc3nc(-c4cnc(N)c(C)c4)cc4cc[nH]c(=O)c34)cc2)CC1.COc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(CCN4CCCC(C(=O)O)C4)cc3)n2)cn1
InChIInChI=1S/C28H32N6O2.C27H28N6O4/c1-18-15-22(17-31-26(18)29)24-16-21-7-10-30-28(35)25(21)27(33-24)32-23-5-3-19(4-6-23)20-8-11-34(12-9-20)13-14-36-2;1-37-27-29-14-20(15-30-27)22-13-18-8-10-28-25(34)23(18)24(32-22)31-21-6-4-17(5-7-21)9-12-33-11-2-3-19(16-33)26(35)36/h3-7,10,15-17,20H,8-9,11-14H2,1-2H3,(H2,29,31)(H,30,35)(H,32,33);4-8,10,13-15,19H,2-3,9,11-12,16H2,1H3,(H,28,34)(H,31,32)(H,35,36)
InChIKeyZYINVPUDXKLPJR-UHFFFAOYSA-N
XLogP7.92
TPSA242.49 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms73
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500985.16
LogP ≤ 57.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 6-(6-amino-5-methyl-3-pyridinyl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one;1-[2-[4-[[3-(2-methoxypyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]ethyl]piperidine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-5-methyl-3-pyridinyl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one;1-[2-[4-[[3-(2-methoxypyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]ethyl]piperidine-3-carboxylic acid?
The IUPAC name of 6-(6-amino-5-methyl-3-pyridinyl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one;1-[2-[4-[[3-(2-methoxypyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]ethyl]piperidine-3-carboxylic acid (CID 87191741) is 6-(6-amino-5-methyl-3-pyridinyl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one;1-[2-[4-[[3-(2-methoxypyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 6-(6-amino-5-methyl-3-pyridinyl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one;1-[2-[4-[[3-(2-methoxypyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 6-(6-amino-5-methyl-3-pyridinyl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one;1-[2-[4-[[3-(2-methoxypyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]ethyl]piperidine-3-carboxylic acid is COCCN1CCC(c2ccc(Nc3nc(-c4cnc(N)c(C)c4)cc4cc[nH]c(=O)c34)cc2)CC1.COc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(CCN4CCCC(C(=O)O)C4)cc3)n2)cn1.
What is the InChIKey of 6-(6-amino-5-methyl-3-pyridinyl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one;1-[2-[4-[[3-(2-methoxypyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]ethyl]piperidine-3-carboxylic acid?
The InChIKey is ZYINVPUDXKLPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2.C27H28N6O4/c1-18-15-22(17-31-26(18)29)24-16-21-7-10-30-28(35)25(21)27(33-24)32-23-5-3-19(4-6-23)20-8-11-34(12-9-20)13-14-36-2;1-37-27-29-14-20(15-30-27)22-13-18-8-10-28-25(34)23(18)24(32-22)31-21-6-4-17(5-7-21)9-12-33-11-2-3-19(16-33)26(35)36/h3-7,10,15-17,20H,8-9,11-14H2,1-2H3,(H2,29,31)(H,30,35)(H,32,33);4-8,10,13-15,19H,2-3,9,11-12,16H2,1H3,(H,28,34)(H,31,32)(H,35,36).
What are the key properties of 6-(6-amino-5-methyl-3-pyridinyl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one;1-[2-[4-[[3-(2-methoxypyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]ethyl]piperidine-3-carboxylic acid?
6-(6-amino-5-methyl-3-pyridinyl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one;1-[2-[4-[[3-(2-methoxypyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]ethyl]piperidine-3-carboxylic acid has a molecular weight of 985.16 g/mol, XLogP of 7.92, 15 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-5-methyl-3-pyridinyl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one;1-[2-[4-[[3-(2-methoxypyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 87191741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).