N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-butylpyridine-2-carboxamide

C21H26N4OS — CID 71083474

IUPACN-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-butylpyridine-2-carboxamide
SMILESCCCCc1ccc(C(=O)Nc2cccc(C3(C)CCSC(N)=N3)c2)nc1
InChIInChI=1S/C21H26N4OS/c1-3-4-6-15-9-10-18(23-14-15)19(26)24-17-8-5-7-16(13-17)21(2)11-12-27-20(22)25-21/h5,7-10,13-14H,3-4,6,11-12H2,1-2H3,(H2,22,25)(H,24,26)
InChIKeyABWCLRBQKMCFMR-UHFFFAOYSA-N
MW382.53 g/mol
LogP4.34
Rot. Bonds6

About N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-butylpyridine-2-carboxamide

N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-butylpyridine-2-carboxamide (PubChem CID 71083474) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-butylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-butylpyridine-2-carboxamide
PubChem CID71083474
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC NameN-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-butylpyridine-2-carboxamide
SMILESCCCCc1ccc(C(=O)Nc2cccc(C3(C)CCSC(N)=N3)c2)nc1
InChIInChI=1S/C21H26N4OS/c1-3-4-6-15-9-10-18(23-14-15)19(26)24-17-8-5-7-16(13-17)21(2)11-12-27-20(22)25-21/h5,7-10,13-14H,3-4,6,11-12H2,1-2H3,(H2,22,25)(H,24,26)
InChIKeyABWCLRBQKMCFMR-UHFFFAOYSA-N
XLogP4.34
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-butylpyridine-2-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-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-butylpyridine-2-carboxamide?
The IUPAC name of N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-butylpyridine-2-carboxamide (CID 71083474) is N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-butylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-butylpyridine-2-carboxamide?
The canonical SMILES for N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-butylpyridine-2-carboxamide is CCCCc1ccc(C(=O)Nc2cccc(C3(C)CCSC(N)=N3)c2)nc1.
What is the InChIKey of N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-butylpyridine-2-carboxamide?
The InChIKey is ABWCLRBQKMCFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-3-4-6-15-9-10-18(23-14-15)19(26)24-17-8-5-7-16(13-17)21(2)11-12-27-20(22)25-21/h5,7-10,13-14H,3-4,6,11-12H2,1-2H3,(H2,22,25)(H,24,26).
What are the key properties of N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-butylpyridine-2-carboxamide?
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-butylpyridine-2-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-butylpyridine-2-carboxamide is sourced from PubChem (CID 71083474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).