N-(11-methoxy-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)-5-methylpyridine-3-carboxamide

C20H19N3O2S — CID 89278363

IUPACN-(11-methoxy-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)-5-methylpyridine-3-carboxamide
SMILESCOc1cccc2c1CCCc1nc(NC(=O)c3cncc(C)c3)sc1-2
InChIInChI=1S/C20H19N3O2S/c1-12-9-13(11-21-10-12)19(24)23-20-22-16-7-3-5-14-15(18(16)26-20)6-4-8-17(14)25-2/h4,6,8-11H,3,5,7H2,1-2H3,(H,22,23,24)
InChIKeyDJQRFQAJYQTNLV-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.26
Rot. Bonds3

About N-(11-methoxy-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)-5-methylpyridine-3-carboxamide

N-(11-methoxy-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)-5-methylpyridine-3-carboxamide (PubChem CID 89278363) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(11-methoxy-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(11-methoxy-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)-5-methylpyridine-3-carboxamide
PubChem CID89278363
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-(11-methoxy-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)-5-methylpyridine-3-carboxamide
SMILESCOc1cccc2c1CCCc1nc(NC(=O)c3cncc(C)c3)sc1-2
InChIInChI=1S/C20H19N3O2S/c1-12-9-13(11-21-10-12)19(24)23-20-22-16-7-3-5-14-15(18(16)26-20)6-4-8-17(14)25-2/h4,6,8-11H,3,5,7H2,1-2H3,(H,22,23,24)
InChIKeyDJQRFQAJYQTNLV-UHFFFAOYSA-N
XLogP4.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-11-methoxy-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-amine
CID 59737977
3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126566
2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5107128
N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)pyridine-3-carboxamide
CID 72719984
8-methoxy-2-oxo-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)chromene-3-carboxamide
CID 90625463
N-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]-5-methylpyridine-3-carboxamide
CID 169090978
(2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone
CID 105122790
1-(2,3-dimethoxyphenyl)-3-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)urea
CID 90625551
4-[1-(2,6-difluorophenyl)ethenylamino]-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-11-ol
CID 89278362
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 24586156
3-(dimethylamino)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide
CID 90625460

Frequently Asked Questions

What is the IUPAC name of N-(11-methoxy-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)-5-methylpyridine-3-carboxamide?
The IUPAC name of N-(11-methoxy-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)-5-methylpyridine-3-carboxamide (CID 89278363) is N-(11-methoxy-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(11-methoxy-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-(11-methoxy-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)-5-methylpyridine-3-carboxamide is COc1cccc2c1CCCc1nc(NC(=O)c3cncc(C)c3)sc1-2.
What is the InChIKey of N-(11-methoxy-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)-5-methylpyridine-3-carboxamide?
The InChIKey is DJQRFQAJYQTNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-12-9-13(11-21-10-12)19(24)23-20-22-16-7-3-5-14-15(18(16)26-20)6-4-8-17(14)25-2/h4,6,8-11H,3,5,7H2,1-2H3,(H,22,23,24).
What are the key properties of N-(11-methoxy-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)-5-methylpyridine-3-carboxamide?
N-(11-methoxy-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)-5-methylpyridine-3-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11-methoxy-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 89278363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).