2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[4-(1-ethylpyrazol-3-yl)-2-oxopentyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-(1-ethylpyrazol-3-yl)ethanamine

C51H53Cl2N11O7 — CID 158364032

About 2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[4-(1-ethylpyrazol-3-yl)-2-oxopentyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-(1-ethylpyrazol-3-yl)ethanamine

2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[4-(1-ethylpyrazol-3-yl)-2-oxopentyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-(1-ethylpyrazol-3-yl)ethanamine (PubChem CID 158364032) has the molecular formula C51H53Cl2N11O7 and a molecular weight of 1002.96 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[4-(1-ethylpyrazol-3-yl)-2-oxopentyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-(1-ethylpyrazol-3-yl)ethanamine.

Molecular Properties

• Compound Name: 2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[4-(1-ethylpyrazol-3-yl)-2-oxopentyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-(1-ethylpyrazol-3-yl)ethanamine
• PubChem CID: 158364032
• Molecular Formula: C51H53Cl2N11O7
• Molecular Weight: 1002.96 g/mol
• Exact Mass: 1001.35
• IUPAC Name: 2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[4-(1-ethylpyrazol-3-yl)-2-oxopentyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-(1-ethylpyrazol-3-yl)ethanamine
• SMILES: CCn1ccc(C(C)CC(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cccnc32)n1.CCn1ccc(C(C)N)n1.O=C(O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cccnc21
• InChI: InChI=1S/C26H26ClN5O3.C18H14ClN3O4.C7H13N3/c1-3-31-12-10-23(30-31)17(2)13-21(33)16-32-24-19(5-4-11-28-24)14-22(26(32)35)25(34)29-15-18-6-8-20(27)9-7-18;19-13-5-3-11(4-6-13)9-21-17(25)14-8-12-2-1-7-20-16(12)22(18(14)26)10-15(23)24;1-3-10-5-4-7(9-10)6(2)8/h4-12,14,17H,3,13,15-16H2,1-2H3,(H,29,34);1-8H,9-10H2,(H,21,25)(H,23,24);4-6H,3,8H2,1-2H3
• InChIKey: GTUQIDRTQXIKLV-UHFFFAOYSA-N
• XLogP: 6.95
• TPSA: 244.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1002.96
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[4-(1-ethylpyrazol-3-yl)-2-oxopentyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-(1-ethylpyrazol-3-yl)ethanamine?

The IUPAC name of 2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[4-(1-ethylpyrazol-3-yl)-2-oxopentyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-(1-ethylpyrazol-3-yl)ethanamine (CID 158364032) is 2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[4-(1-ethylpyrazol-3-yl)-2-oxopentyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-(1-ethylpyrazol-3-yl)ethanamine.

What is the SMILES notation for 2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[4-(1-ethylpyrazol-3-yl)-2-oxopentyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-(1-ethylpyrazol-3-yl)ethanamine?

The canonical SMILES for 2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[4-(1-ethylpyrazol-3-yl)-2-oxopentyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-(1-ethylpyrazol-3-yl)ethanamine is CCn1ccc(C(C)CC(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cccnc32)n1.CCn1ccc(C(C)N)n1.O=C(O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cccnc21.

What is the InChIKey of 2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[4-(1-ethylpyrazol-3-yl)-2-oxopentyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-(1-ethylpyrazol-3-yl)ethanamine?

The InChIKey is GTUQIDRTQXIKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O3.C18H14ClN3O4.C7H13N3/c1-3-31-12-10-23(30-31)17(2)13-21(33)16-32-24-19(5-4-11-28-24)14-22(26(32)35)25(34)29-15-18-6-8-20(27)9-7-18;19-13-5-3-11(4-6-13)9-21-17(25)14-8-12-2-1-7-20-16(12)22(18(14)26)10-15(23)24;1-3-10-5-4-7(9-10)6(2)8/h4-12,14,17H,3,13,15-16H2,1-2H3,(H,29,34);1-8H,9-10H2,(H,21,25)(H,23,24);4-6H,3,8H2,1-2H3.

What are the key properties of 2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[4-(1-ethylpyrazol-3-yl)-2-oxopentyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-(1-ethylpyrazol-3-yl)ethanamine?

2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[4-(1-ethylpyrazol-3-yl)-2-oxopentyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-(1-ethylpyrazol-3-yl)ethanamine has a molecular weight of 1002.96 g/mol, XLogP of 6.95, 16 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[4-(1-ethylpyrazol-3-yl)-2-oxopentyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-(1-ethylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 158364032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).