propan-2-yl (2R,4S)-4-[(3,5-dichlorophenyl)methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-6-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

C24H29Cl2N7O2 — CID 70683275

About propan-2-yl (2R,4S)-4-[(3,5-dichlorophenyl)methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-6-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

propan-2-yl (2R,4S)-4-[(3,5-dichlorophenyl)methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-6-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (PubChem CID 70683275) has the molecular formula C24H29Cl2N7O2 and a molecular weight of 518.45 g/mol. Its IUPAC name is propan-2-yl (2R,4S)-4-[(3,5-dichlorophenyl)methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-6-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl (2R,4S)-4-[(3,5-dichlorophenyl)methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-6-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
• PubChem CID: 70683275
• Molecular Formula: C24H29Cl2N7O2
• Molecular Weight: 518.45 g/mol
• Exact Mass: 517.18
• IUPAC Name: propan-2-yl (2R,4S)-4-[(3,5-dichlorophenyl)methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-6-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
• SMILES: CC[C@@H]1C[C@H](N(Cc2cc(Cl)cc(Cl)c2)c2nnn(C)n2)c2nc(C)ccc2N1C(=O)OC(C)C
• InChI: InChI=1S/C24H29Cl2N7O2/c1-6-19-12-21(22-20(8-7-15(4)27-22)33(19)24(34)35-14(2)3)32(23-28-30-31(5)29-23)13-16-9-17(25)11-18(26)10-16/h7-11,14,19,21H,6,12-13H2,1-5H3/t19-,21+/m1/s1
• InChIKey: URHFSMKLJVQQMJ-CTNGQTDRSA-N
• XLogP: 5.50
• TPSA: 89.27 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.45
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R,4S)-4-[(3,5-dichlorophenyl)methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-6-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?

The IUPAC name of propan-2-yl (2R,4S)-4-[(3,5-dichlorophenyl)methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-6-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (CID 70683275) is propan-2-yl (2R,4S)-4-[(3,5-dichlorophenyl)methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-6-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.

What is the SMILES notation for propan-2-yl (2R,4S)-4-[(3,5-dichlorophenyl)methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-6-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?

The canonical SMILES for propan-2-yl (2R,4S)-4-[(3,5-dichlorophenyl)methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-6-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is CC[C@@H]1C[C@H](N(Cc2cc(Cl)cc(Cl)c2)c2nnn(C)n2)c2nc(C)ccc2N1C(=O)OC(C)C.

What is the InChIKey of propan-2-yl (2R,4S)-4-[(3,5-dichlorophenyl)methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-6-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?

The InChIKey is URHFSMKLJVQQMJ-CTNGQTDRSA-N. The full InChI is InChI=1S/C24H29Cl2N7O2/c1-6-19-12-21(22-20(8-7-15(4)27-22)33(19)24(34)35-14(2)3)32(23-28-30-31(5)29-23)13-16-9-17(25)11-18(26)10-16/h7-11,14,19,21H,6,12-13H2,1-5H3/t19-,21+/m1/s1.

What are the key properties of propan-2-yl (2R,4S)-4-[(3,5-dichlorophenyl)methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-6-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?

propan-2-yl (2R,4S)-4-[(3,5-dichlorophenyl)methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-6-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate has a molecular weight of 518.45 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl (2R,4S)-4-[(3,5-dichlorophenyl)methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-6-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is sourced from PubChem (CID 70683275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).