N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide

C25H21ClN4O2S — CID 144621872

IUPACN-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2nccc3ncccc23)c1)c1ccc(N2CCCCS2=O)cc1
InChIInChI=1S/C25H21ClN4O2S/c26-22-10-7-18(16-21(22)24-20-4-3-12-27-23(20)11-13-28-24)29-25(31)17-5-8-19(9-6-17)30-14-1-2-15-33(30)32/h3-13,16H,1-2,14-15H2,(H,29,31)
InChIKeyRJQYAUJUNXZIKE-UHFFFAOYSA-N
MW476.99 g/mol
LogP5.47
Rot. Bonds4

About N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide

N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide (PubChem CID 144621872) has the molecular formula C25H21ClN4O2S and a molecular weight of 476.99 g/mol. Its IUPAC name is N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide
PubChem CID144621872
Molecular FormulaC25H21ClN4O2S
Molecular Weight476.99 g/mol
Exact Mass476.11
IUPAC NameN-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2nccc3ncccc23)c1)c1ccc(N2CCCCS2=O)cc1
InChIInChI=1S/C25H21ClN4O2S/c26-22-10-7-18(16-21(22)24-20-4-3-12-27-23(20)11-13-28-24)29-25(31)17-5-8-19(9-6-17)30-14-1-2-15-33(30)32/h3-13,16H,1-2,14-15H2,(H,29,31)
InChIKeyRJQYAUJUNXZIKE-UHFFFAOYSA-N
XLogP5.47
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.99
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
CID 144621769
N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(1-oxothiazinan-2-yl)benzamide
CID 144620837
N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide
CID 118463107
N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide;propane
CID 144621048
N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3-oxo-1,3,4-oxathiazinan-4-yl)benzamide
CID 144621930
N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide;chloromethane;ethene;methanamine
CID 144621315
N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide
CID 90130505
N-(3-isoquinolin-1-yl-4-methylphenyl)-4-(1-oxothiazetidin-2-yl)benzamide
CID 144621779
2-chloro-N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide
CID 118463112
2-chloro-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]-4-(thiazepan-2-yl)benzamide;propane
CID 144621463
2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
CID 144621410
N-[2-chloro-5-[[2-chloro-4-(1-oxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide
CID 144621222

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide?
The IUPAC name of N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide (CID 144621872) is N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide.
What is the SMILES notation for N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide?
The canonical SMILES for N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide is O=C(Nc1ccc(Cl)c(-c2nccc3ncccc23)c1)c1ccc(N2CCCCS2=O)cc1.
What is the InChIKey of N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide?
The InChIKey is RJQYAUJUNXZIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O2S/c26-22-10-7-18(16-21(22)24-20-4-3-12-27-23(20)11-13-28-24)29-25(31)17-5-8-19(9-6-17)30-14-1-2-15-33(30)32/h3-13,16H,1-2,14-15H2,(H,29,31).
What are the key properties of N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide?
N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide has a molecular weight of 476.99 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide is sourced from PubChem (CID 144621872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).