N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide

C25H24ClN7O3 — CID 118135871

IUPACN-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide
SMILESCC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(-n4nccn4)ccnc32)C1
InChIInChI=1S/C25H24ClN7O3/c1-25(2)14-31(15-25)21(34)13-32-22-18(20(7-8-27-22)33-29-9-10-30-33)11-19(24(32)36)23(35)28-12-16-3-5-17(26)6-4-16/h3-11H,12-15H2,1-2H3,(H,28,35)
InChIKeyVKRZRLBTGCTYMB-UHFFFAOYSA-N
MW505.97 g/mol
LogP2.43
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide (PubChem CID 118135871) has the molecular formula C25H24ClN7O3 and a molecular weight of 505.97 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide
PubChem CID118135871
Molecular FormulaC25H24ClN7O3
Molecular Weight505.97 g/mol
Exact Mass505.16
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide
SMILESCC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(-n4nccn4)ccnc32)C1
InChIInChI=1S/C25H24ClN7O3/c1-25(2)14-31(15-25)21(34)13-32-22-18(20(7-8-27-22)33-29-9-10-30-33)11-19(24(32)36)23(35)28-12-16-3-5-17(26)6-4-16/h3-11H,12-15H2,1-2H3,(H,28,35)
InChIKeyVKRZRLBTGCTYMB-UHFFFAOYSA-N
XLogP2.43
TPSA115.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.97
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide (CID 118135871) is N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide is CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(-n4nccn4)ccnc32)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is VKRZRLBTGCTYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN7O3/c1-25(2)14-31(15-25)21(34)13-32-22-18(20(7-8-27-22)33-29-9-10-30-33)11-19(24(32)36)23(35)28-12-16-3-5-17(26)6-4-16/h3-11H,12-15H2,1-2H3,(H,28,35).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 505.97 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-5-(triazol-2-yl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 118135871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).