2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-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]-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol

C48H58Cl2N10O9 — CID 158986845

About 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-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]-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol

2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-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]-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol (PubChem CID 158986845) has the molecular formula C48H58Cl2N10O9 and a molecular weight of 989.96 g/mol. Its IUPAC name is 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-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]-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]-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]-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol
• PubChem CID: 158986845
• Molecular Formula: C48H58Cl2N10O9
• Molecular Weight: 989.96 g/mol
• Exact Mass: 988.38
• IUPAC Name: 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-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]-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)cc2ccc(N)nc21.CNCC(C)(C)CO.Nc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)O)c2n1
• InChI: InChI=1S/C24H28ClN5O4.C18H15ClN4O4.C6H15NO/c1-24(2,14-31)13-29(3)20(32)12-30-21-16(6-9-19(26)28-21)10-18(23(30)34)22(33)27-11-15-4-7-17(25)8-5-15;19-12-4-1-10(2-5-12)8-21-17(26)13-7-11-3-6-14(20)22-16(11)23(18(13)27)9-15(24)25;1-6(2,5-8)4-7-3/h4-10,31H,11-14H2,1-3H3,(H2,26,28)(H,27,33);1-7H,8-9H2,(H2,20,22)(H,21,26)(H,24,25);7-8H,4-5H2,1-3H3
• InChIKey: JPRCZKQOJHYFQB-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 290.12 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	989.96
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-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]-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]-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]-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol (CID 158986845) is 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-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]-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]-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]-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]-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]-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)cc2ccc(N)nc21.CNCC(C)(C)CO.Nc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)O)c2n1.

What is the InChIKey of 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-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]-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol?

The InChIKey is JPRCZKQOJHYFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O4.C18H15ClN4O4.C6H15NO/c1-24(2,14-31)13-29(3)20(32)12-30-21-16(6-9-19(26)28-21)10-18(23(30)34)22(33)27-11-15-4-7-17(25)8-5-15;19-12-4-1-10(2-5-12)8-21-17(26)13-7-11-3-6-14(20)22-16(11)23(18(13)27)9-15(24)25;1-6(2,5-8)4-7-3/h4-10,31H,11-14H2,1-3H3,(H2,26,28)(H,27,33);1-7H,8-9H2,(H2,20,22)(H,21,26)(H,24,25);7-8H,4-5H2,1-3H3.

What are the key properties of 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-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]-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol?

2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-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]-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol has a molecular weight of 989.96 g/mol, XLogP of 3.91, 16 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-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]-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol is sourced from PubChem (CID 158986845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).