2-N,5-N-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,6-bis[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]pyrazine-2,5-dicarboxamide

C30H48N6O10 — CID 53387076

IUPAC2-N,5-N-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,6-bis[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]pyrazine-2,5-dicarboxamide
SMILESCC1(C)OCC(CNC(=O)c2nc(NC[C@H]3COC(C)(C)O3)c(C(=O)NCC3COC(C)(C)O3)nc2NC[C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C30H48N6O10/c1-27(2)39-13-17(43-27)9-31-23-21(25(37)33-11-19-15-41-29(5,6)45-19)36-24(32-10-18-14-40-28(3,4)44-18)22(35-23)26(38)34-12-20-16-42-30(7,8)46-20/h17-20H,9-16H2,1-8H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38)/t17-,18-,19?,20?/m0/s1
InChIKeyAIMDSQYNSRQZIP-VCAKUFKGSA-N
MW652.75 g/mol
LogP1.37
Rot. Bonds12

About 2-N,5-N-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,6-bis[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]pyrazine-2,5-dicarboxamide

2-N,5-N-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,6-bis[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]pyrazine-2,5-dicarboxamide (PubChem CID 53387076) has the molecular formula C30H48N6O10 and a molecular weight of 652.75 g/mol. Its IUPAC name is 2-N,5-N-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,6-bis[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]pyrazine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,6-bis[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]pyrazine-2,5-dicarboxamide
PubChem CID53387076
Molecular FormulaC30H48N6O10
Molecular Weight652.75 g/mol
Exact Mass652.34
IUPAC Name2-N,5-N-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,6-bis[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]pyrazine-2,5-dicarboxamide
SMILESCC1(C)OCC(CNC(=O)c2nc(NC[C@H]3COC(C)(C)O3)c(C(=O)NCC3COC(C)(C)O3)nc2NC[C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C30H48N6O10/c1-27(2)39-13-17(43-27)9-31-23-21(25(37)33-11-19-15-41-29(5,6)45-19)36-24(32-10-18-14-40-28(3,4)44-18)22(35-23)26(38)34-12-20-16-42-30(7,8)46-20/h17-20H,9-16H2,1-8H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38)/t17-,18-,19?,20?/m0/s1
InChIKeyAIMDSQYNSRQZIP-VCAKUFKGSA-N
XLogP1.37
TPSA181.88 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.75
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 2-N,5-N-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,6-bis[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]pyrazine-2,5-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,6-bis[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]pyrazine-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,6-bis[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]pyrazine-2,5-dicarboxamide (CID 53387076) is 2-N,5-N-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,6-bis[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]pyrazine-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,6-bis[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]pyrazine-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,6-bis[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]pyrazine-2,5-dicarboxamide is CC1(C)OCC(CNC(=O)c2nc(NC[C@H]3COC(C)(C)O3)c(C(=O)NCC3COC(C)(C)O3)nc2NC[C@H]2COC(C)(C)O2)O1.
What is the InChIKey of 2-N,5-N-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,6-bis[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]pyrazine-2,5-dicarboxamide?
The InChIKey is AIMDSQYNSRQZIP-VCAKUFKGSA-N. The full InChI is InChI=1S/C30H48N6O10/c1-27(2)39-13-17(43-27)9-31-23-21(25(37)33-11-19-15-41-29(5,6)45-19)36-24(32-10-18-14-40-28(3,4)44-18)22(35-23)26(38)34-12-20-16-42-30(7,8)46-20/h17-20H,9-16H2,1-8H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38)/t17-,18-,19?,20?/m0/s1.
What are the key properties of 2-N,5-N-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,6-bis[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]pyrazine-2,5-dicarboxamide?
2-N,5-N-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,6-bis[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]pyrazine-2,5-dicarboxamide has a molecular weight of 652.75 g/mol, XLogP of 1.37, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,6-bis[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]pyrazine-2,5-dicarboxamide is sourced from PubChem (CID 53387076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).