N-(8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-10-yl)pyridine-3-carboxamide

C20H11N3O2S — CID 86209041

IUPACN-(8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-10-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2snc3c2c1C(=O)c1ccccc1-3)c1cccnc1
InChIInChI=1S/C20H11N3O2S/c24-19-13-6-2-1-5-12(13)18-17-15(26-23-18)8-7-14(16(17)19)22-20(25)11-4-3-9-21-10-11/h1-10H,(H,22,25)
InChIKeyHHIMVYDVMBJWRU-UHFFFAOYSA-N
MW357.39 g/mol
LogP4.16
Rot. Bonds2

About N-(8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-10-yl)pyridine-3-carboxamide

N-(8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-10-yl)pyridine-3-carboxamide (PubChem CID 86209041) has the molecular formula C20H11N3O2S and a molecular weight of 357.39 g/mol. Its IUPAC name is N-(8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-10-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-10-yl)pyridine-3-carboxamide
PubChem CID86209041
Molecular FormulaC20H11N3O2S
Molecular Weight357.39 g/mol
Exact Mass357.06
IUPAC NameN-(8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-10-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2snc3c2c1C(=O)c1ccccc1-3)c1cccnc1
InChIInChI=1S/C20H11N3O2S/c24-19-13-6-2-1-5-12(13)18-17-15(26-23-18)8-7-14(16(17)19)22-20(25)11-4-3-9-21-10-11/h1-10H,(H,22,25)
InChIKeyHHIMVYDVMBJWRU-UHFFFAOYSA-N
XLogP4.16
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-10-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

6-(dimethylamino)-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one;14-oxa-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one;N-(8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-10-yl)benzamide
CID 160958094
N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-2-carboxamide
CID 108925361
N-[2-(4-chlorophenyl)-4-methylphenyl]pyridine-3-carboxamide
CID 110442905
3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid
CID 16773059
N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 1244993
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220
N-(3-oxo-7-pyridin-3-yl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639225
N-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide
CID 171501184
N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 20784957
N-(2-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64787918
N-(7-oxobenzo[e]perimidin-8-yl)benzamide
CID 21235686

Frequently Asked Questions

What is the IUPAC name of N-(8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-10-yl)pyridine-3-carboxamide?
The IUPAC name of N-(8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-10-yl)pyridine-3-carboxamide (CID 86209041) is N-(8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-10-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-10-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-10-yl)pyridine-3-carboxamide is O=C(Nc1ccc2snc3c2c1C(=O)c1ccccc1-3)c1cccnc1.
What is the InChIKey of N-(8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-10-yl)pyridine-3-carboxamide?
The InChIKey is HHIMVYDVMBJWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11N3O2S/c24-19-13-6-2-1-5-12(13)18-17-15(26-23-18)8-7-14(16(17)19)22-20(25)11-4-3-9-21-10-11/h1-10H,(H,22,25).
What are the key properties of N-(8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-10-yl)pyridine-3-carboxamide?
N-(8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-10-yl)pyridine-3-carboxamide has a molecular weight of 357.39 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 N-(8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-10-yl)pyridine-3-carboxamide is sourced from PubChem (CID 86209041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).