N-[2-(2-formamido-3-pyridinyl)-1,2,3,7-tetrahydroazulen-5-yl]-2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide

C28H27N5O3 — CID 143201127

IUPACN-[2-(2-formamido-3-pyridinyl)-1,2,3,7-tetrahydroazulen-5-yl]-2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide
SMILESO=CNc1ncccc1C1CC2=CCC=C(NC(=O)CN3CC4CC(=O)Nc5cccc3c54)C=C2C1
InChIInChI=1S/C28H27N5O3/c34-16-30-28-22(6-3-9-29-28)19-10-17-4-1-5-21(12-18(17)11-19)31-26(36)15-33-14-20-13-25(35)32-23-7-2-8-24(33)27(20)23/h2-9,12,16,19-20H,1,10-11,13-15H2,(H,31,36)(H,32,35)(H,29,30,34)
InChIKeyUAOHDLULGBJIQM-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.73
Rot. Bonds6

About N-[2-(2-formamido-3-pyridinyl)-1,2,3,7-tetrahydroazulen-5-yl]-2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide

N-[2-(2-formamido-3-pyridinyl)-1,2,3,7-tetrahydroazulen-5-yl]-2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide (PubChem CID 143201127) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[2-(2-formamido-3-pyridinyl)-1,2,3,7-tetrahydroazulen-5-yl]-2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-formamido-3-pyridinyl)-1,2,3,7-tetrahydroazulen-5-yl]-2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide
PubChem CID143201127
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC NameN-[2-(2-formamido-3-pyridinyl)-1,2,3,7-tetrahydroazulen-5-yl]-2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide
SMILESO=CNc1ncccc1C1CC2=CCC=C(NC(=O)CN3CC4CC(=O)Nc5cccc3c54)C=C2C1
InChIInChI=1S/C28H27N5O3/c34-16-30-28-22(6-3-9-29-28)19-10-17-4-1-5-21(12-18(17)11-19)31-26(36)15-33-14-20-13-25(35)32-23-7-2-8-24(33)27(20)23/h2-9,12,16,19-20H,1,10-11,13-15H2,(H,31,36)(H,32,35)(H,29,30,34)
InChIKeyUAOHDLULGBJIQM-UHFFFAOYSA-N
XLogP3.73
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[2-(2-formamido-3-pyridinyl)-1,2,3,7-tetrahydroazulen-5-yl]-2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide with MolForge

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Related Compounds

2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide
CID 143201162
2-(10-oxo-3,9-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-3-yl)acetic acid
CID 59257860
(7S)-1'-methyl-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione
CID 46885186
2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 166352020
5-[[4-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-2-carbonyl)-2-pyridinyl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
CID 58117531
2-oxo-N-(2-quinolin-8-yloxyethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 131904231
N-(2-aminoethyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
CID 61206948
N-(3,4-dimethylphenyl)-2-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 126784115
4-[4-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 110093921
1-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 74239554
N-(2-hydroxyethyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 63404016
(4R)-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 94613605

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-formamido-3-pyridinyl)-1,2,3,7-tetrahydroazulen-5-yl]-2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide?
The IUPAC name of N-[2-(2-formamido-3-pyridinyl)-1,2,3,7-tetrahydroazulen-5-yl]-2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide (CID 143201127) is N-[2-(2-formamido-3-pyridinyl)-1,2,3,7-tetrahydroazulen-5-yl]-2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide.
What is the SMILES notation for N-[2-(2-formamido-3-pyridinyl)-1,2,3,7-tetrahydroazulen-5-yl]-2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide?
The canonical SMILES for N-[2-(2-formamido-3-pyridinyl)-1,2,3,7-tetrahydroazulen-5-yl]-2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide is O=CNc1ncccc1C1CC2=CCC=C(NC(=O)CN3CC4CC(=O)Nc5cccc3c54)C=C2C1.
What is the InChIKey of N-[2-(2-formamido-3-pyridinyl)-1,2,3,7-tetrahydroazulen-5-yl]-2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide?
The InChIKey is UAOHDLULGBJIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c34-16-30-28-22(6-3-9-29-28)19-10-17-4-1-5-21(12-18(17)11-19)31-26(36)15-33-14-20-13-25(35)32-23-7-2-8-24(33)27(20)23/h2-9,12,16,19-20H,1,10-11,13-15H2,(H,31,36)(H,32,35)(H,29,30,34).
What are the key properties of N-[2-(2-formamido-3-pyridinyl)-1,2,3,7-tetrahydroazulen-5-yl]-2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide?
N-[2-(2-formamido-3-pyridinyl)-1,2,3,7-tetrahydroazulen-5-yl]-2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide has a molecular weight of 481.56 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-formamido-3-pyridinyl)-1,2,3,7-tetrahydroazulen-5-yl]-2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)acetamide is sourced from PubChem (CID 143201127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).