N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide;propane

C29H32N4O2S — CID 144621048

IUPACN-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide;propane
SMILESCCC.Cc1ccc(NC(=O)c2ccc(N3CCCCS3=O)cc2)cc1-c1ccc2ncccc2n1
InChIInChI=1S/C26H24N4O2S.C3H8/c1-18-6-9-20(17-22(18)23-12-13-24-25(29-23)5-4-14-27-24)28-26(31)19-7-10-21(11-8-19)30-15-2-3-16-33(30)32;1-3-2/h4-14,17H,2-3,15-16H2,1H3,(H,28,31);3H2,1-2H3
InChIKeyHYBCKRRPJQPDJS-UHFFFAOYSA-N
MW500.67 g/mol
LogP6.54
Rot. Bonds4

About N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide;propane

N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide;propane (PubChem CID 144621048) has the molecular formula C29H32N4O2S and a molecular weight of 500.67 g/mol. Its IUPAC name is N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide;propane.

Molecular Properties

Compound NameN-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide;propane
PubChem CID144621048
Molecular FormulaC29H32N4O2S
Molecular Weight500.67 g/mol
Exact Mass500.22
IUPAC NameN-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide;propane
SMILESCCC.Cc1ccc(NC(=O)c2ccc(N3CCCCS3=O)cc2)cc1-c1ccc2ncccc2n1
InChIInChI=1S/C26H24N4O2S.C3H8/c1-18-6-9-20(17-22(18)23-12-13-24-25(29-23)5-4-14-27-24)28-26(31)19-7-10-21(11-8-19)30-15-2-3-16-33(30)32;1-3-2/h4-14,17H,2-3,15-16H2,1H3,(H,28,31);3H2,1-2H3
InChIKeyHYBCKRRPJQPDJS-UHFFFAOYSA-N
XLogP6.54
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.67
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,1-dioxothiazetidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide
CID 90129755
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-(1-oxothiazinan-2-yl)benzamide
CID 144621872
N-(3-isoquinolin-1-yl-4-methylphenyl)-4-(1-oxothiazetidin-2-yl)benzamide
CID 144621779
2-(2-methylphenyl)pyridine;N-(4-methyl-3-quinolin-2-ylphenyl)-4-(thiazepan-2-yl)benzamide;propane
CID 144621648
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-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3-oxo-1,3,4-oxathiazinan-4-yl)benzamide
CID 144621930
N-(4-methyl-3-quinazolin-2-ylphenyl)-4-(1,2,6-thiadiazinan-2-yl)benzamide;propane
CID 144621442
N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
CID 144621769
N-(4-ethoxy-3-methylphenyl)quinoline-6-carboxamide
CID 86874562
4-(1,1-dioxothiazinan-2-yl)-2-methyl-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide
CID 90130047
2-chloro-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]-4-(thiazepan-2-yl)benzamide;propane
CID 144621463

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide;propane?
The IUPAC name of N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide;propane (CID 144621048) is N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide;propane.
What is the SMILES notation for N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide;propane?
The canonical SMILES for N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide;propane is CCC.Cc1ccc(NC(=O)c2ccc(N3CCCCS3=O)cc2)cc1-c1ccc2ncccc2n1.
What is the InChIKey of N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide;propane?
The InChIKey is HYBCKRRPJQPDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S.C3H8/c1-18-6-9-20(17-22(18)23-12-13-24-25(29-23)5-4-14-27-24)28-26(31)19-7-10-21(11-8-19)30-15-2-3-16-33(30)32;1-3-2/h4-14,17H,2-3,15-16H2,1H3,(H,28,31);3H2,1-2H3.
What are the key properties of N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide;propane?
N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide;propane has a molecular weight of 500.67 g/mol, XLogP of 6.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide;propane is sourced from PubChem (CID 144621048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).