2-[2-(dimethylamino)-3-pyridinyl]-N-[4-(4-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene-9-carbonyl)phenyl]acetamide

C27H25N5O2S — CID 139785579

IUPAC2-[2-(dimethylamino)-3-pyridinyl]-N-[4-(4-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene-9-carbonyl)phenyl]acetamide
SMILESCN(C)c1ncccc1CC(=O)Nc1ccc(C(=O)N2Cc3ccsc3Cc3ncccc32)cc1
InChIInChI=1S/C27H25N5O2S/c1-31(2)26-19(5-3-13-29-26)15-25(33)30-21-9-7-18(8-10-21)27(34)32-17-20-11-14-35-24(20)16-22-23(32)6-4-12-28-22/h3-14H,15-17H2,1-2H3,(H,30,33)
InChIKeyAEOLOWMBPTUNNM-UHFFFAOYSA-N
MW483.60 g/mol
LogP4.54
Rot. Bonds5

About 2-[2-(dimethylamino)-3-pyridinyl]-N-[4-(4-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene-9-carbonyl)phenyl]acetamide

2-[2-(dimethylamino)-3-pyridinyl]-N-[4-(4-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene-9-carbonyl)phenyl]acetamide (PubChem CID 139785579) has the molecular formula C27H25N5O2S and a molecular weight of 483.60 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-3-pyridinyl]-N-[4-(4-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene-9-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-3-pyridinyl]-N-[4-(4-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene-9-carbonyl)phenyl]acetamide
PubChem CID139785579
Molecular FormulaC27H25N5O2S
Molecular Weight483.60 g/mol
Exact Mass483.17
IUPAC Name2-[2-(dimethylamino)-3-pyridinyl]-N-[4-(4-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene-9-carbonyl)phenyl]acetamide
SMILESCN(C)c1ncccc1CC(=O)Nc1ccc(C(=O)N2Cc3ccsc3Cc3ncccc32)cc1
InChIInChI=1S/C27H25N5O2S/c1-31(2)26-19(5-3-13-29-26)15-25(33)30-21-9-7-18(8-10-21)27(34)32-17-20-11-14-35-24(20)16-22-23(32)6-4-12-28-22/h3-14H,15-17H2,1-2H3,(H,30,33)
InChIKeyAEOLOWMBPTUNNM-UHFFFAOYSA-N
XLogP4.54
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.60
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(dimethylamino)-3-pyridinyl]-N-[4-(4-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene-9-carbonyl)phenyl]acetamide with MolForge

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Related Compounds

N-[4-(6H-benzo[b][1,4]benzothiazepine-5-carbonyl)phenyl]-2-(2-methylphenyl)acetamide
CID 67623973
2-(3-methylfuran-2-yl)-N-[4-(6H-pyrido[2,3-b][1,4]benzothiazepine-5-carbonyl)phenyl]acetamide
CID 139662270
N-[4-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)phenyl]-2-methylbenzamide
CID 15308000
2-methyl-N-[4-(6H-pyrido[2,3-b][1,4]benzothiazepine-5-carbonyl)phenyl]benzamide
CID 86751686
N-[3-chloro-4-(6-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-9-carbonyl)phenyl]-5-fluoro-2-methylbenzamide
CID 19699140
N-[4-(9-chloro-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-2-(2-methylphenyl)acetamide
CID 70344794
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CID 139785119
2-(2-chlorophenyl)-N-[4-(6,7-dihydrobenzo[d][1]benzazepine-5-carbonyl)phenyl]acetamide
CID 67625377
N-[4-(9-chloro-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-2-phenylacetamide
CID 70344744
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 55961652
2-(2-methylphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 110664380
4-[[2-(dimethylamino)-3-pyridinyl]methylamino]-N-[dimethyl(oxo)-λ6-sulfanylidene]benzamide
CID 136573844

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-3-pyridinyl]-N-[4-(4-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene-9-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[2-(dimethylamino)-3-pyridinyl]-N-[4-(4-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene-9-carbonyl)phenyl]acetamide (CID 139785579) is 2-[2-(dimethylamino)-3-pyridinyl]-N-[4-(4-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene-9-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)-3-pyridinyl]-N-[4-(4-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene-9-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(dimethylamino)-3-pyridinyl]-N-[4-(4-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene-9-carbonyl)phenyl]acetamide is CN(C)c1ncccc1CC(=O)Nc1ccc(C(=O)N2Cc3ccsc3Cc3ncccc32)cc1.
What is the InChIKey of 2-[2-(dimethylamino)-3-pyridinyl]-N-[4-(4-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene-9-carbonyl)phenyl]acetamide?
The InChIKey is AEOLOWMBPTUNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2S/c1-31(2)26-19(5-3-13-29-26)15-25(33)30-21-9-7-18(8-10-21)27(34)32-17-20-11-14-35-24(20)16-22-23(32)6-4-12-28-22/h3-14H,15-17H2,1-2H3,(H,30,33).
What are the key properties of 2-[2-(dimethylamino)-3-pyridinyl]-N-[4-(4-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene-9-carbonyl)phenyl]acetamide?
2-[2-(dimethylamino)-3-pyridinyl]-N-[4-(4-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene-9-carbonyl)phenyl]acetamide has a molecular weight of 483.60 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-3-pyridinyl]-N-[4-(4-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene-9-carbonyl)phenyl]acetamide is sourced from PubChem (CID 139785579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).