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

C25H27ClN4O4 — CID 118135826

IUPACN-[(4-chlorophenyl)methyl]-1-[2-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCN(CC1(CO)CCC1)C(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cccnc21
InChIInChI=1S/C25H27ClN4O4/c1-29(15-25(16-31)9-3-10-25)21(32)14-30-22-18(4-2-11-27-22)12-20(24(30)34)23(33)28-13-17-5-7-19(26)8-6-17/h2,4-8,11-12,31H,3,9-10,13-16H2,1H3,(H,28,33)
InChIKeyJFZLMOGSNHBIKC-UHFFFAOYSA-N
MW482.97 g/mol
LogP2.60
Rot. Bonds8

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

N-[(4-chlorophenyl)methyl]-1-[2-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 118135826) has the molecular formula C25H27ClN4O4 and a molecular weight of 482.97 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[2-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[2-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID118135826
Molecular FormulaC25H27ClN4O4
Molecular Weight482.97 g/mol
Exact Mass482.17
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[2-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCN(CC1(CO)CCC1)C(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cccnc21
InChIInChI=1S/C25H27ClN4O4/c1-29(15-25(16-31)9-3-10-25)21(32)14-30-22-18(4-2-11-27-22)12-20(24(30)34)23(33)28-13-17-5-7-19(26)8-6-17/h2,4-8,11-12,31H,3,9-10,13-16H2,1H3,(H,28,33)
InChIKeyJFZLMOGSNHBIKC-UHFFFAOYSA-N
XLogP2.60
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.97
LogP ≤ 52.60
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-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 118135826) is N-[(4-chlorophenyl)methyl]-1-[2-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[2-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[2-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide is CN(CC1(CO)CCC1)C(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cccnc21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[2-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is JFZLMOGSNHBIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O4/c1-29(15-25(16-31)9-3-10-25)21(32)14-30-22-18(4-2-11-27-22)12-20(24(30)34)23(33)28-13-17-5-7-19(26)8-6-17/h2,4-8,11-12,31H,3,9-10,13-16H2,1H3,(H,28,33).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[2-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[2-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 482.97 g/mol, XLogP of 2.60, 8 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-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 118135826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).