6-[4-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide

C24H32N8O2 — CID 77271598

IUPAC6-[4-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCCNc1ncc2c(n1)N1CCCC1CN(CC1CCN(c3ccc(C(N)=O)cn3)CC1)C2=O
InChIInChI=1S/C24H32N8O2/c1-2-26-24-28-13-19-22(29-24)32-9-3-4-18(32)15-31(23(19)34)14-16-7-10-30(11-8-16)20-6-5-17(12-27-20)21(25)33/h5-6,12-13,16,18H,2-4,7-11,14-15H2,1H3,(H2,25,33)(H,26,28,29)
InChIKeyMMMCFGLXIATIKU-UHFFFAOYSA-N
MW464.57 g/mol
LogP1.74
Rot. Bonds6

About 6-[4-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide

6-[4-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 77271598) has the molecular formula C24H32N8O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is 6-[4-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID77271598
Molecular FormulaC24H32N8O2
Molecular Weight464.57 g/mol
Exact Mass464.26
IUPAC Name6-[4-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCCNc1ncc2c(n1)N1CCCC1CN(CC1CCN(c3ccc(C(N)=O)cn3)CC1)C2=O
InChIInChI=1S/C24H32N8O2/c1-2-26-24-28-13-19-22(29-24)32-9-3-4-18(32)15-31(23(19)34)14-16-7-10-30(11-8-16)20-6-5-17(12-27-20)21(25)33/h5-6,12-13,16,18H,2-4,7-11,14-15H2,1H3,(H2,25,33)(H,26,28,29)
InChIKeyMMMCFGLXIATIKU-UHFFFAOYSA-N
XLogP1.74
TPSA120.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[4-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide (CID 77271598) is 6-[4-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide is CCNc1ncc2c(n1)N1CCCC1CN(CC1CCN(c3ccc(C(N)=O)cn3)CC1)C2=O.
What is the InChIKey of 6-[4-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is MMMCFGLXIATIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O2/c1-2-26-24-28-13-19-22(29-24)32-9-3-4-18(32)15-31(23(19)34)14-16-7-10-30(11-8-16)20-6-5-17(12-27-20)21(25)33/h5-6,12-13,16,18H,2-4,7-11,14-15H2,1H3,(H2,25,33)(H,26,28,29).
What are the key properties of 6-[4-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide?
6-[4-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 77271598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).