7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-5-methoxy-2-oxo-1,8-naphthyridine-3-carboxamide

C25H28ClN5O6 — CID 71744834

IUPAC7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-5-methoxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1cc(N)nc2c1cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)N(C)CC1(CO)COC1
InChIInChI=1S/C25H28ClN5O6/c1-30(11-25(12-32)13-37-14-25)21(33)10-31-22-17(19(36-2)8-20(27)29-22)7-18(24(31)35)23(34)28-9-15-3-5-16(26)6-4-15/h3-8,32H,9-14H2,1-2H3,(H2,27,29)(H,28,34)
InChIKeyMTAYIJKFIPCBHL-UHFFFAOYSA-N
MW529.98 g/mol
LogP1.04
Rot. Bonds9

About 7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-5-methoxy-2-oxo-1,8-naphthyridine-3-carboxamide

7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-5-methoxy-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 71744834) has the molecular formula C25H28ClN5O6 and a molecular weight of 529.98 g/mol. Its IUPAC name is 7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-5-methoxy-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-5-methoxy-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID71744834
Molecular FormulaC25H28ClN5O6
Molecular Weight529.98 g/mol
Exact Mass529.17
IUPAC Name7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-5-methoxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1cc(N)nc2c1cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)N(C)CC1(CO)COC1
InChIInChI=1S/C25H28ClN5O6/c1-30(11-25(12-32)13-37-14-25)21(33)10-31-22-17(19(36-2)8-20(27)29-22)7-18(24(31)35)23(34)28-9-15-3-5-16(26)6-4-15/h3-8,32H,9-14H2,1-2H3,(H2,27,29)(H,28,34)
InChIKeyMTAYIJKFIPCBHL-UHFFFAOYSA-N
XLogP1.04
TPSA149.01 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.98
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-5-methoxy-2-oxo-1,8-naphthyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-5-methoxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-5-methoxy-2-oxo-1,8-naphthyridine-3-carboxamide (CID 71744834) is 7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-5-methoxy-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-5-methoxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-5-methoxy-2-oxo-1,8-naphthyridine-3-carboxamide is COc1cc(N)nc2c1cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)N(C)CC1(CO)COC1.
What is the InChIKey of 7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-5-methoxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is MTAYIJKFIPCBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O6/c1-30(11-25(12-32)13-37-14-25)21(33)10-31-22-17(19(36-2)8-20(27)29-22)7-18(24(31)35)23(34)28-9-15-3-5-16(26)6-4-15/h3-8,32H,9-14H2,1-2H3,(H2,27,29)(H,28,34).
What are the key properties of 7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-5-methoxy-2-oxo-1,8-naphthyridine-3-carboxamide?
7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-5-methoxy-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 529.98 g/mol, XLogP of 1.04, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(4-chlorophenyl)methyl]-1-[2-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]-2-oxoethyl]-5-methoxy-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 71744834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).