N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)-2-pyridin-2-ylacetamide

C26H24N6O — CID 70954810

IUPACN-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)-2-pyridin-2-ylacetamide
SMILESCc1cnc2nc1Nc1ccc(NC(=O)Cc3ccccn3)c(c1)CCc1cccc(c1)N2
InChIInChI=1S/C26H24N6O/c1-17-16-28-26-30-21-7-4-5-18(13-21)8-9-19-14-22(29-25(17)32-26)10-11-23(19)31-24(33)15-20-6-2-3-12-27-20/h2-7,10-14,16H,8-9,15H2,1H3,(H,31,33)(H2,28,29,30,32)
InChIKeyYWBPWBPVHXIAFF-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.95
Rot. Bonds3

About N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)-2-pyridin-2-ylacetamide

N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)-2-pyridin-2-ylacetamide (PubChem CID 70954810) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)-2-pyridin-2-ylacetamide
PubChem CID70954810
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC NameN-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)-2-pyridin-2-ylacetamide
SMILESCc1cnc2nc1Nc1ccc(NC(=O)Cc3ccccn3)c(c1)CCc1cccc(c1)N2
InChIInChI=1S/C26H24N6O/c1-17-16-28-26-30-21-7-4-5-18(13-21)8-9-19-14-22(29-25(17)32-26)10-11-23(19)31-24(33)15-20-6-2-3-12-27-20/h2-7,10-14,16H,8-9,15H2,1H3,(H,31,33)(H2,28,29,30,32)
InChIKeyYWBPWBPVHXIAFF-UHFFFAOYSA-N
XLogP4.95
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)-2-pyridin-2-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)-2-pyridin-2-ylacetamide?
The IUPAC name of N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)-2-pyridin-2-ylacetamide (CID 70954810) is N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)-2-pyridin-2-ylacetamide?
The canonical SMILES for N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)-2-pyridin-2-ylacetamide is Cc1cnc2nc1Nc1ccc(NC(=O)Cc3ccccn3)c(c1)CCc1cccc(c1)N2.
What is the InChIKey of N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)-2-pyridin-2-ylacetamide?
The InChIKey is YWBPWBPVHXIAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c1-17-16-28-26-30-21-7-4-5-18(13-21)8-9-19-14-22(29-25(17)32-26)10-11-23(19)31-24(33)15-20-6-2-3-12-27-20/h2-7,10-14,16H,8-9,15H2,1H3,(H,31,33)(H2,28,29,30,32).
What are the key properties of N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)-2-pyridin-2-ylacetamide?
N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)-2-pyridin-2-ylacetamide has a molecular weight of 436.52 g/mol, XLogP of 4.95, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)-2-pyridin-2-ylacetamide is sourced from PubChem (CID 70954810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).