N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-methylpyridine-2-carboxamide

C19H20N4O2S — CID 44626066

IUPACN-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-methylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)C2(CCO3)CCSC(N)=N2)nc1
InChIInChI=1S/C19H20N4O2S/c1-12-2-4-15(21-11-12)17(24)22-13-3-5-16-14(10-13)19(6-8-25-16)7-9-26-18(20)23-19/h2-5,10-11H,6-9H2,1H3,(H2,20,23)(H,22,24)
InChIKeyUNEYAUOFFOLMBZ-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.07
Rot. Bonds2

About N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-methylpyridine-2-carboxamide

N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-methylpyridine-2-carboxamide (PubChem CID 44626066) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-methylpyridine-2-carboxamide
PubChem CID44626066
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-methylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)C2(CCO3)CCSC(N)=N2)nc1
InChIInChI=1S/C19H20N4O2S/c1-12-2-4-15(21-11-12)17(24)22-13-3-5-16-14(10-13)19(6-8-25-16)7-9-26-18(20)23-19/h2-5,10-11H,6-9H2,1H3,(H2,20,23)(H,22,24)
InChIKeyUNEYAUOFFOLMBZ-UHFFFAOYSA-N
XLogP3.07
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-chloropyridine-2-carboxamide;ethane
CID 143933560
N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5H-1,3-thiazole]-6-yl)-5-(cyanomethyl)pyridine-2-carboxamide
CID 166069660
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 59374722
N-[(4R)-3'-amino-2'-methyl-1',1'-dioxospiro[2,3-dihydrochromene-4,5'-6H-1,2,4-thiadiazine]-6-yl]-5-methoxypyrazine-2-carboxamide
CID 122535435
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(oxetan-2-ylmethoxy)pyrazine-2-carboxamide
CID 59250583
tert-butyl N-[(4R)-6-[(5-chloropyridine-2-carbonyl)amino]-2'-methyl-1',1'-dioxospiro[2,3-dihydrochromene-4,5'-6H-1,2,4-thiadiazine]-3'-yl]carbamate
CID 122535441
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2-methyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 160537999
N-[(4S)-2-amino-5'-fluoro-7'-methoxyspiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2'-yl]-5-methoxypyrazine-2-carboxamide
CID 71542790
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,5-dimethylanilino)pyridine-2-carboxamide
CID 109198075
N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl)-5-methoxy-3-methylpyridine-2-carboxamide
CID 123485390
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 59250592
N-(2'-amino-3-methylspiro[1,3-dihydroisochromene-4,4'-5H-1,3-thiazole]-6-yl)-5-(methoxymethyl)pyridine-2-carboxamide
CID 166069631

Frequently Asked Questions

What is the IUPAC name of N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-methylpyridine-2-carboxamide?
The IUPAC name of N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-methylpyridine-2-carboxamide (CID 44626066) is N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-methylpyridine-2-carboxamide?
The canonical SMILES for N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-methylpyridine-2-carboxamide is Cc1ccc(C(=O)Nc2ccc3c(c2)C2(CCO3)CCSC(N)=N2)nc1.
What is the InChIKey of N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-methylpyridine-2-carboxamide?
The InChIKey is UNEYAUOFFOLMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12-2-4-15(21-11-12)17(24)22-13-3-5-16-14(10-13)19(6-8-25-16)7-9-26-18(20)23-19/h2-5,10-11H,6-9H2,1H3,(H2,20,23)(H,22,24).
What are the key properties of N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-methylpyridine-2-carboxamide?
N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-methylpyridine-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 44626066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).