7-amino-N-[(4-chlorophenyl)methyl]-1-[3-[2-(hydroxymethyl)azetidin-1-yl]-3-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C23H24ClN5O4 — CID 118135973

IUPAC7-amino-N-[(4-chlorophenyl)methyl]-1-[3-[2-(hydroxymethyl)azetidin-1-yl]-3-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESNc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CCC(=O)N3CCC3CO)c2n1
InChIInChI=1S/C23H24ClN5O4/c24-16-4-1-14(2-5-16)12-26-22(32)18-11-15-3-6-19(25)27-21(15)29(23(18)33)10-8-20(31)28-9-7-17(28)13-30/h1-6,11,17,30H,7-10,12-13H2,(H2,25,27)(H,26,32)
InChIKeyIKLISLXJNHIJBK-UHFFFAOYSA-N
MW469.93 g/mol
LogP1.55
Rot. Bonds7

About 7-amino-N-[(4-chlorophenyl)methyl]-1-[3-[2-(hydroxymethyl)azetidin-1-yl]-3-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide

7-amino-N-[(4-chlorophenyl)methyl]-1-[3-[2-(hydroxymethyl)azetidin-1-yl]-3-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 118135973) has the molecular formula C23H24ClN5O4 and a molecular weight of 469.93 g/mol. Its IUPAC name is 7-amino-N-[(4-chlorophenyl)methyl]-1-[3-[2-(hydroxymethyl)azetidin-1-yl]-3-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-amino-N-[(4-chlorophenyl)methyl]-1-[3-[2-(hydroxymethyl)azetidin-1-yl]-3-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID118135973
Molecular FormulaC23H24ClN5O4
Molecular Weight469.93 g/mol
Exact Mass469.15
IUPAC Name7-amino-N-[(4-chlorophenyl)methyl]-1-[3-[2-(hydroxymethyl)azetidin-1-yl]-3-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESNc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CCC(=O)N3CCC3CO)c2n1
InChIInChI=1S/C23H24ClN5O4/c24-16-4-1-14(2-5-16)12-26-22(32)18-11-15-3-6-19(25)27-21(15)29(23(18)33)10-8-20(31)28-9-7-17(28)13-30/h1-6,11,17,30H,7-10,12-13H2,(H2,25,27)(H,26,32)
InChIKeyIKLISLXJNHIJBK-UHFFFAOYSA-N
XLogP1.55
TPSA130.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.93
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 123993801
tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate
CID 118135944
2-[4-[1-[(4-chlorophenyl)methylamino]ethenylamino]phenyl]-1-[(2R)-2-(hydroxymethyl)azetidin-1-yl]ethanone
CID 156825236
azetidine;1-[2-(azetidin-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid
CID 160761846
N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 118135936
1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 18582962
3-N-[(4-chlorophenyl)methyl]-5-N-(cyclopropylmethyl)-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3,5-dicarboxamide
CID 118137018
N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-(2-methoxyethylamino)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 118135932
2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;1-[2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetyl]pyrrolidine-3-carboxylic acid;methyl pyrrolidine-3-carboxylate
CID 157191755
N-[(4-chlorophenyl)methyl]-1-[3-(3H-indol-5-yl)-2-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 157465096
2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-2-oxo-1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1,8-naphthyridine-3-carboxamide;piperazin-2-one
CID 160501071
ethyl 1-[[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]methyl]cyclopropane-1-carboxylate
CID 146442037

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(4-chlorophenyl)methyl]-1-[3-[2-(hydroxymethyl)azetidin-1-yl]-3-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 7-amino-N-[(4-chlorophenyl)methyl]-1-[3-[2-(hydroxymethyl)azetidin-1-yl]-3-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 118135973) is 7-amino-N-[(4-chlorophenyl)methyl]-1-[3-[2-(hydroxymethyl)azetidin-1-yl]-3-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-amino-N-[(4-chlorophenyl)methyl]-1-[3-[2-(hydroxymethyl)azetidin-1-yl]-3-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 7-amino-N-[(4-chlorophenyl)methyl]-1-[3-[2-(hydroxymethyl)azetidin-1-yl]-3-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide is Nc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CCC(=O)N3CCC3CO)c2n1.
What is the InChIKey of 7-amino-N-[(4-chlorophenyl)methyl]-1-[3-[2-(hydroxymethyl)azetidin-1-yl]-3-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is IKLISLXJNHIJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O4/c24-16-4-1-14(2-5-16)12-26-22(32)18-11-15-3-6-19(25)27-21(15)29(23(18)33)10-8-20(31)28-9-7-17(28)13-30/h1-6,11,17,30H,7-10,12-13H2,(H2,25,27)(H,26,32).
What are the key properties of 7-amino-N-[(4-chlorophenyl)methyl]-1-[3-[2-(hydroxymethyl)azetidin-1-yl]-3-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
7-amino-N-[(4-chlorophenyl)methyl]-1-[3-[2-(hydroxymethyl)azetidin-1-yl]-3-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 469.93 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(4-chlorophenyl)methyl]-1-[3-[2-(hydroxymethyl)azetidin-1-yl]-3-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 118135973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).