2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol

C56H66Cl2N14O9 — CID 157323154

About 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol

2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol (PubChem CID 157323154) has the molecular formula C56H66Cl2N14O9 and a molecular weight of 1150.14 g/mol. Its IUPAC name is 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol.

Molecular Properties

• Compound Name: 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol
• PubChem CID: 157323154
• Molecular Formula: C56H66Cl2N14O9
• Molecular Weight: 1150.14 g/mol
• Exact Mass: 1148.45
• IUPAC Name: 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol
• SMILES: CN(CC(C)(C)CO)C(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cc(-c3cnn(C)c3)c(N)nc21.CNCC(C)(C)CO.Cn1cc(-c2cc3cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n(CC(=O)O)c3nc2N)cn1
• InChI: InChI=1S/C28H32ClN7O4.C22H19ClN6O4.C6H15NO/c1-28(2,16-37)15-34(3)23(38)14-36-25-18(9-21(24(30)33-25)19-12-32-35(4)13-19)10-22(27(36)40)26(39)31-11-17-5-7-20(29)8-6-17;1-28-10-14(9-26-28)16-6-13-7-17(21(32)25-8-12-2-4-15(23)5-3-12)22(33)29(11-18(30)31)20(13)27-19(16)24;1-6(2,5-8)4-7-3/h5-10,12-13,37H,11,14-16H2,1-4H3,(H2,30,33)(H,31,39);2-7,9-10H,8,11H2,1H3,(H2,24,27)(H,25,32)(H,30,31);7-8H,4-5H2,1-3H3
• InChIKey: BEKFISOKOCCTAJ-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 325.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1150.14
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol?

The IUPAC name of 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol (CID 157323154) is 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol.

What is the SMILES notation for 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol?

The canonical SMILES for 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol is CN(CC(C)(C)CO)C(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cc(-c3cnn(C)c3)c(N)nc21.CNCC(C)(C)CO.Cn1cc(-c2cc3cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n(CC(=O)O)c3nc2N)cn1.

What is the InChIKey of 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol?

The InChIKey is BEKFISOKOCCTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN7O4.C22H19ClN6O4.C6H15NO/c1-28(2,16-37)15-34(3)23(38)14-36-25-18(9-21(24(30)33-25)19-12-32-35(4)13-19)10-22(27(36)40)26(39)31-11-17-5-7-20(29)8-6-17;1-28-10-14(9-26-28)16-6-13-7-17(21(32)25-8-12-2-4-15(23)5-3-12)22(33)29(11-18(30)31)20(13)27-19(16)24;1-6(2,5-8)4-7-3/h5-10,12-13,37H,11,14-16H2,1-4H3,(H2,30,33)(H,31,39);2-7,9-10H,8,11H2,1H3,(H2,24,27)(H,25,32)(H,30,31);7-8H,4-5H2,1-3H3.

What are the key properties of 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol?

2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol has a molecular weight of 1150.14 g/mol, XLogP of 4.71, 18 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-6-(1-methylpyrazol-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol is sourced from PubChem (CID 157323154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).