N-methyl-5-[4-[3-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide

C26H32N6O2S — CID 169148635

IUPACN-methyl-5-[4-[3-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N3CCCC(c4nc5sc6c(c5c(=O)[nH]4)CCC6)C3)CC2)cn1
InChIInChI=1S/C26H32N6O2S/c1-27-24(33)20-8-7-18(14-28-20)31-12-9-17(10-13-31)32-11-3-4-16(15-32)23-29-25(34)22-19-5-2-6-21(19)35-26(22)30-23/h7-8,14,16-17H,2-6,9-13,15H2,1H3,(H,27,33)(H,29,30,34)
InChIKeyLKUNWJDOAZWRBE-UHFFFAOYSA-N
MW492.65 g/mol
LogP3.08
Rot. Bonds4

About N-methyl-5-[4-[3-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide

N-methyl-5-[4-[3-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide (PubChem CID 169148635) has the molecular formula C26H32N6O2S and a molecular weight of 492.65 g/mol. Its IUPAC name is N-methyl-5-[4-[3-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[4-[3-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
PubChem CID169148635
Molecular FormulaC26H32N6O2S
Molecular Weight492.65 g/mol
Exact Mass492.23
IUPAC NameN-methyl-5-[4-[3-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N3CCCC(c4nc5sc6c(c5c(=O)[nH]4)CCC6)C3)CC2)cn1
InChIInChI=1S/C26H32N6O2S/c1-27-24(33)20-8-7-18(14-28-20)31-12-9-17(10-13-31)32-11-3-4-16(15-32)23-29-25(34)22-19-5-2-6-21(19)35-26(22)30-23/h7-8,14,16-17H,2-6,9-13,15H2,1H3,(H,27,33)(H,29,30,34)
InChIKeyLKUNWJDOAZWRBE-UHFFFAOYSA-N
XLogP3.08
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-methyl-5-[4-[3-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-[3-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[4-[3-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide (CID 169148635) is N-methyl-5-[4-[3-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[4-[3-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[4-[3-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(N2CCC(N3CCCC(c4nc5sc6c(c5c(=O)[nH]4)CCC6)C3)CC2)cn1.
What is the InChIKey of N-methyl-5-[4-[3-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide?
The InChIKey is LKUNWJDOAZWRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2S/c1-27-24(33)20-8-7-18(14-28-20)31-12-9-17(10-13-31)32-11-3-4-16(15-32)23-29-25(34)22-19-5-2-6-21(19)35-26(22)30-23/h7-8,14,16-17H,2-6,9-13,15H2,1H3,(H,27,33)(H,29,30,34).
What are the key properties of N-methyl-5-[4-[3-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide?
N-methyl-5-[4-[3-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 492.65 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-[3-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 169148635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).