N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxycyclobutyl)-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C23H23ClN4O4 — CID 118135824

IUPACN-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxycyclobutyl)-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCN(C(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cccnc21)C1CC(O)C1
InChIInChI=1S/C23H23ClN4O4/c1-27(17-10-18(29)11-17)20(30)13-28-21-15(3-2-8-25-21)9-19(23(28)32)22(31)26-12-14-4-6-16(24)7-5-14/h2-9,17-18,29H,10-13H2,1H3,(H,26,31)
InChIKeyWCZYISLQEZJBEM-UHFFFAOYSA-N
MW454.91 g/mol
LogP1.96
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxycyclobutyl)-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxycyclobutyl)-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 118135824) has the molecular formula C23H23ClN4O4 and a molecular weight of 454.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxycyclobutyl)-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxycyclobutyl)-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID118135824
Molecular FormulaC23H23ClN4O4
Molecular Weight454.91 g/mol
Exact Mass454.14
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxycyclobutyl)-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCN(C(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cccnc21)C1CC(O)C1
InChIInChI=1S/C23H23ClN4O4/c1-27(17-10-18(29)11-17)20(30)13-28-21-15(3-2-8-25-21)9-19(23(28)32)22(31)26-12-14-4-6-16(24)7-5-14/h2-9,17-18,29H,10-13H2,1H3,(H,26,31)
InChIKeyWCZYISLQEZJBEM-UHFFFAOYSA-N
XLogP1.96
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.91
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxycyclobutyl)-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxycyclobutyl)-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 118135824) is N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxycyclobutyl)-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxycyclobutyl)-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxycyclobutyl)-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide is CN(C(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cccnc21)C1CC(O)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxycyclobutyl)-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is WCZYISLQEZJBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4/c1-27(17-10-18(29)11-17)20(30)13-28-21-15(3-2-8-25-21)9-19(23(28)32)22(31)26-12-14-4-6-16(24)7-5-14/h2-9,17-18,29H,10-13H2,1H3,(H,26,31).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxycyclobutyl)-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxycyclobutyl)-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 454.91 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxycyclobutyl)-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 118135824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).