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

C30H33ClN8O5S — CID 118135877

IUPACN-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(-n4cc(CN5CCS(=O)(=O)CC5)nn4)ccnc32)C1
InChIInChI=1S/C30H33ClN8O5S/c1-30(2)18-37(19-30)26(40)17-38-27-23(13-24(29(38)42)28(41)33-14-20-3-5-21(31)6-4-20)25(7-8-32-27)39-16-22(34-35-39)15-36-9-11-45(43,44)12-10-36/h3-8,13,16H,9-12,14-15,17-19H2,1-2H3,(H,33,41)
InChIKeyUYCVPBBVDMHXGT-UHFFFAOYSA-N
MW653.17 g/mol
LogP1.66
Rot. Bonds8

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

N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 118135877) has the molecular formula C30H33ClN8O5S and a molecular weight of 653.17 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID118135877
Molecular FormulaC30H33ClN8O5S
Molecular Weight653.17 g/mol
Exact Mass652.20
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(-n4cc(CN5CCS(=O)(=O)CC5)nn4)ccnc32)C1
InChIInChI=1S/C30H33ClN8O5S/c1-30(2)18-37(19-30)26(40)17-38-27-23(13-24(29(38)42)28(41)33-14-20-3-5-21(31)6-4-20)25(7-8-32-27)39-16-22(34-35-39)15-36-9-11-45(43,44)12-10-36/h3-8,13,16H,9-12,14-15,17-19H2,1-2H3,(H,33,41)
InChIKeyUYCVPBBVDMHXGT-UHFFFAOYSA-N
XLogP1.66
TPSA152.39 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.17
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 118135877) is N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]-2-oxo-1,8-naphthyridine-3-carboxamide is CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(-n4cc(CN5CCS(=O)(=O)CC5)nn4)ccnc32)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is UYCVPBBVDMHXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClN8O5S/c1-30(2)18-37(19-30)26(40)17-38-27-23(13-24(29(38)42)28(41)33-14-20-3-5-21(31)6-4-20)25(7-8-32-27)39-16-22(34-35-39)15-36-9-11-45(43,44)12-10-36/h3-8,13,16H,9-12,14-15,17-19H2,1-2H3,(H,33,41).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]-2-oxo-1,8-naphthyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 653.17 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 11 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]-5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 118135877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).