N-(4-methoxyphenyl)-2-[7-methyl-4-oxo-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide

C23H24N4O4 — CID 53087056

IUPACN-(4-methoxyphenyl)-2-[7-methyl-4-oxo-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(C(=O)N3CCCC3)c(=O)c3ccc(C)nc32)cc1
InChIInChI=1S/C23H24N4O4/c1-15-5-10-18-21(29)19(23(30)26-11-3-4-12-26)13-27(22(18)24-15)14-20(28)25-16-6-8-17(31-2)9-7-16/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,25,28)
InChIKeyWKATVJFWMUVDHN-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.59
Rot. Bonds5

About N-(4-methoxyphenyl)-2-[7-methyl-4-oxo-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide

N-(4-methoxyphenyl)-2-[7-methyl-4-oxo-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide (PubChem CID 53087056) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[7-methyl-4-oxo-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[7-methyl-4-oxo-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide
PubChem CID53087056
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-(4-methoxyphenyl)-2-[7-methyl-4-oxo-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(C(=O)N3CCCC3)c(=O)c3ccc(C)nc32)cc1
InChIInChI=1S/C23H24N4O4/c1-15-5-10-18-21(29)19(23(30)26-11-3-4-12-26)13-27(22(18)24-15)14-20(28)25-16-6-8-17(31-2)9-7-16/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,25,28)
InChIKeyWKATVJFWMUVDHN-UHFFFAOYSA-N
XLogP2.59
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[7-methyl-4-oxo-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[7-methyl-4-oxo-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide (CID 53087056) is N-(4-methoxyphenyl)-2-[7-methyl-4-oxo-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[7-methyl-4-oxo-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[7-methyl-4-oxo-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide is COc1ccc(NC(=O)Cn2cc(C(=O)N3CCCC3)c(=O)c3ccc(C)nc32)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[7-methyl-4-oxo-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide?
The InChIKey is WKATVJFWMUVDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-15-5-10-18-21(29)19(23(30)26-11-3-4-12-26)13-27(22(18)24-15)14-20(28)25-16-6-8-17(31-2)9-7-16/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,25,28).
What are the key properties of N-(4-methoxyphenyl)-2-[7-methyl-4-oxo-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide?
N-(4-methoxyphenyl)-2-[7-methyl-4-oxo-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide has a molecular weight of 420.47 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[7-methyl-4-oxo-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide is sourced from PubChem (CID 53087056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).