5-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]pyridine-2-carbonitrile

C19H21N7O — CID 74389007

IUPAC5-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]pyridine-2-carbonitrile
SMILESCCNc1ncc2c(n1)N1CCCC1CN(Cc1ccc(C#N)nc1)C2=O
InChIInChI=1S/C19H21N7O/c1-2-21-19-23-10-16-17(24-19)26-7-3-4-15(26)12-25(18(16)27)11-13-5-6-14(8-20)22-9-13/h5-6,9-10,15H,2-4,7,11-12H2,1H3,(H,21,23,24)
InChIKeyMEZBOZQAHAAWPH-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.80
Rot. Bonds4

About 5-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]pyridine-2-carbonitrile

5-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]pyridine-2-carbonitrile (PubChem CID 74389007) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 5-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]pyridine-2-carbonitrile
PubChem CID74389007
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name5-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]pyridine-2-carbonitrile
SMILESCCNc1ncc2c(n1)N1CCCC1CN(Cc1ccc(C#N)nc1)C2=O
InChIInChI=1S/C19H21N7O/c1-2-21-19-23-10-16-17(24-19)26-7-3-4-15(26)12-25(18(16)27)11-13-5-6-14(8-20)22-9-13/h5-6,9-10,15H,2-4,7,11-12H2,1H3,(H,21,23,24)
InChIKeyMEZBOZQAHAAWPH-UHFFFAOYSA-N
XLogP1.80
TPSA98.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]pyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]pyridine-2-carbonitrile (CID 74389007) is 5-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]pyridine-2-carbonitrile is CCNc1ncc2c(n1)N1CCCC1CN(Cc1ccc(C#N)nc1)C2=O.
What is the InChIKey of 5-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]pyridine-2-carbonitrile?
The InChIKey is MEZBOZQAHAAWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-2-21-19-23-10-16-17(24-19)26-7-3-4-15(26)12-25(18(16)27)11-13-5-6-14(8-20)22-9-13/h5-6,9-10,15H,2-4,7,11-12H2,1H3,(H,21,23,24).
What are the key properties of 5-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]pyridine-2-carbonitrile?
5-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]pyridine-2-carbonitrile has a molecular weight of 363.43 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 74389007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).