N-tert-butyl-2-[[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide

C21H27N5O3 — CID 157029369

IUPACN-tert-butyl-2-[[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)c1nc(-c2cc3c(cn2)OCCO3)nc2c1CCC2
InChIInChI=1S/C21H27N5O3/c1-21(2,3)25-18(27)12-26(4)20-13-6-5-7-14(13)23-19(24-20)15-10-16-17(11-22-15)29-9-8-28-16/h10-11H,5-9,12H2,1-4H3,(H,25,27)
InChIKeyMTMAQAXZLZACQQ-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.15
Rot. Bonds4

About N-tert-butyl-2-[[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide

N-tert-butyl-2-[[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide (PubChem CID 157029369) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
PubChem CID157029369
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC NameN-tert-butyl-2-[[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)c1nc(-c2cc3c(cn2)OCCO3)nc2c1CCC2
InChIInChI=1S/C21H27N5O3/c1-21(2,3)25-18(27)12-26(4)20-13-6-5-7-14(13)23-19(24-20)15-10-16-17(11-22-15)29-9-8-28-16/h10-11H,5-9,12H2,1-4H3,(H,25,27)
InChIKeyMTMAQAXZLZACQQ-UHFFFAOYSA-N
XLogP2.15
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-tert-butyl-2-[[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide (CID 157029369) is N-tert-butyl-2-[[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide is CN(CC(=O)NC(C)(C)C)c1nc(-c2cc3c(cn2)OCCO3)nc2c1CCC2.
What is the InChIKey of N-tert-butyl-2-[[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?
The InChIKey is MTMAQAXZLZACQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-21(2,3)25-18(27)12-26(4)20-13-6-5-7-14(13)23-19(24-20)15-10-16-17(11-22-15)29-9-8-28-16/h10-11H,5-9,12H2,1-4H3,(H,25,27).
What are the key properties of N-tert-butyl-2-[[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?
N-tert-butyl-2-[[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide has a molecular weight of 397.48 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide is sourced from PubChem (CID 157029369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).