5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-(3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-8-yl)pyrazine-2-carboxamide

C20H22N6O4 — CID 118368217

IUPAC5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-(3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-8-yl)pyrazine-2-carboxamide
SMILESNC(=O)c1ncc(N[C@@H]2CCOC[C@@H]2N)nc1-c1cc2c3c(ccc2[nH]1)OCCO3
InChIInChI=1S/C20H22N6O4/c21-11-9-28-4-3-13(11)25-16-8-23-18(20(22)27)17(26-16)14-7-10-12(24-14)1-2-15-19(10)30-6-5-29-15/h1-2,7-8,11,13,24H,3-6,9,21H2,(H2,22,27)(H,25,26)/t11-,13+/m0/s1
InChIKeyWDZSUWIDWIHGJP-WCQYABFASA-N
MW410.43 g/mol
LogP1.02
Rot. Bonds4

About 5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-(3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-8-yl)pyrazine-2-carboxamide

5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-(3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-8-yl)pyrazine-2-carboxamide (PubChem CID 118368217) has the molecular formula C20H22N6O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is 5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-(3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-8-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-(3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-8-yl)pyrazine-2-carboxamide
PubChem CID118368217
Molecular FormulaC20H22N6O4
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC Name5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-(3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-8-yl)pyrazine-2-carboxamide
SMILESNC(=O)c1ncc(N[C@@H]2CCOC[C@@H]2N)nc1-c1cc2c3c(ccc2[nH]1)OCCO3
InChIInChI=1S/C20H22N6O4/c21-11-9-28-4-3-13(11)25-16-8-23-18(20(22)27)17(26-16)14-7-10-12(24-14)1-2-15-19(10)30-6-5-29-15/h1-2,7-8,11,13,24H,3-6,9,21H2,(H2,22,27)(H,25,26)/t11-,13+/m0/s1
InChIKeyWDZSUWIDWIHGJP-WCQYABFASA-N
XLogP1.02
TPSA150.40 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-(3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-8-yl)pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-(3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-8-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-(3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-8-yl)pyrazine-2-carboxamide (CID 118368217) is 5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-(3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-8-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-(3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-8-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-(3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-8-yl)pyrazine-2-carboxamide is NC(=O)c1ncc(N[C@@H]2CCOC[C@@H]2N)nc1-c1cc2c3c(ccc2[nH]1)OCCO3.
What is the InChIKey of 5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-(3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-8-yl)pyrazine-2-carboxamide?
The InChIKey is WDZSUWIDWIHGJP-WCQYABFASA-N. The full InChI is InChI=1S/C20H22N6O4/c21-11-9-28-4-3-13(11)25-16-8-23-18(20(22)27)17(26-16)14-7-10-12(24-14)1-2-15-19(10)30-6-5-29-15/h1-2,7-8,11,13,24H,3-6,9,21H2,(H2,22,27)(H,25,26)/t11-,13+/m0/s1.
What are the key properties of 5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-(3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-8-yl)pyrazine-2-carboxamide?
5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-(3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-8-yl)pyrazine-2-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 1.02, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-(3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-8-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 118368217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).