(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-pyridin-4-ylmethanone

C19H19N3OS — CID 171133135

IUPAC(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-pyridin-4-ylmethanone
SMILESNc1c(C(=O)c2ccncc2)sc2nc3c(cc12)CCCCCC3
InChIInChI=1S/C19H19N3OS/c20-16-14-11-13-5-3-1-2-4-6-15(13)22-19(14)24-18(16)17(23)12-7-9-21-10-8-12/h7-11H,1-6,20H2
InChIKeyKUWOYFZYAYXIAQ-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.16
Rot. Bonds2

About (6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-pyridin-4-ylmethanone

(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-pyridin-4-ylmethanone (PubChem CID 171133135) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is (6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-pyridin-4-ylmethanone
PubChem CID171133135
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-pyridin-4-ylmethanone
SMILESNc1c(C(=O)c2ccncc2)sc2nc3c(cc12)CCCCCC3
InChIInChI=1S/C19H19N3OS/c20-16-14-11-13-5-3-1-2-4-6-15(13)22-19(14)24-18(16)17(23)12-7-9-21-10-8-12/h7-11H,1-6,20H2
InChIKeyKUWOYFZYAYXIAQ-UHFFFAOYSA-N
XLogP4.16
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-pyridin-4-ylmethanone with MolForge

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Related Compounds

(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-(4-bromophenyl)methanone
CID 1333149
6-amino-N-pyridin-4-yl-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 21232440
(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(3-bromophenyl)methanone
CID 23823851
(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-ethoxyphenyl)methanone
CID 23971387
4-(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 25045776
(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-pyrrolidin-1-ylmethanone
CID 23999189
(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-piperidin-1-ylmethanone
CID 797224
4-(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 25036373
3-amino-2-benzoyl-7,8-dihydro-6H-thieno[2,3-b]quinolin-5-one
CID 797561
6-amino-N-(4-methylphenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide
CID 1023419
6-amino-N,N-dibenzyl-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 171133184
4-(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carbonyl)-3-phenyloxadiazol-3-ium-5-olate
CID 53296647

Frequently Asked Questions

What is the IUPAC name of (6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-pyridin-4-ylmethanone?
The IUPAC name of (6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-pyridin-4-ylmethanone (CID 171133135) is (6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-pyridin-4-ylmethanone.
What is the SMILES notation for (6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-pyridin-4-ylmethanone?
The canonical SMILES for (6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-pyridin-4-ylmethanone is Nc1c(C(=O)c2ccncc2)sc2nc3c(cc12)CCCCCC3.
What is the InChIKey of (6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-pyridin-4-ylmethanone?
The InChIKey is KUWOYFZYAYXIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c20-16-14-11-13-5-3-1-2-4-6-15(13)22-19(14)24-18(16)17(23)12-7-9-21-10-8-12/h7-11H,1-6,20H2.
What are the key properties of (6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-pyridin-4-ylmethanone?
(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-pyridin-4-ylmethanone has a molecular weight of 337.45 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-pyridin-4-ylmethanone is sourced from PubChem (CID 171133135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).