N-(6-methoxypyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide

C14H20N4O2 — CID 75454069

IUPACN-(6-methoxypyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
SMILESCOc1cc(NC(=O)N2CC3CCCCC3C2)ncn1
InChIInChI=1S/C14H20N4O2/c1-20-13-6-12(15-9-16-13)17-14(19)18-7-10-4-2-3-5-11(10)8-18/h6,9-11H,2-5,7-8H2,1H3,(H,15,16,17,19)
InChIKeyHWSOZNHCLXSJIP-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.14
Rot. Bonds2

About N-(6-methoxypyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide

N-(6-methoxypyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide (PubChem CID 75454069) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(6-methoxypyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-(6-methoxypyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
PubChem CID75454069
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-(6-methoxypyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
SMILESCOc1cc(NC(=O)N2CC3CCCCC3C2)ncn1
InChIInChI=1S/C14H20N4O2/c1-20-13-6-12(15-9-16-13)17-14(19)18-7-10-4-2-3-5-11(10)8-18/h6,9-11H,2-5,7-8H2,1H3,(H,15,16,17,19)
InChIKeyHWSOZNHCLXSJIP-UHFFFAOYSA-N
XLogP2.14
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxypyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide?
The IUPAC name of N-(6-methoxypyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide (CID 75454069) is N-(6-methoxypyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide.
What is the SMILES notation for N-(6-methoxypyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide?
The canonical SMILES for N-(6-methoxypyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide is COc1cc(NC(=O)N2CC3CCCCC3C2)ncn1.
What is the InChIKey of N-(6-methoxypyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide?
The InChIKey is HWSOZNHCLXSJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-20-13-6-12(15-9-16-13)17-14(19)18-7-10-4-2-3-5-11(10)8-18/h6,9-11H,2-5,7-8H2,1H3,(H,15,16,17,19).
What are the key properties of N-(6-methoxypyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide?
N-(6-methoxypyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxypyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide is sourced from PubChem (CID 75454069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).