3-[3-(2-aminoethyl)anilino]-N,6-dimethyl-5-[methyl(propan-2-yl)amino]pyrazine-2-carboxamide

C19H28N6O — CID 167487253

About 3-[3-(2-aminoethyl)anilino]-N,6-dimethyl-5-[methyl(propan-2-yl)amino]pyrazine-2-carboxamide

3-[3-(2-aminoethyl)anilino]-N,6-dimethyl-5-[methyl(propan-2-yl)amino]pyrazine-2-carboxamide (PubChem CID 167487253) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-[3-(2-aminoethyl)anilino]-N,6-dimethyl-5-[methyl(propan-2-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[3-(2-aminoethyl)anilino]-N,6-dimethyl-5-[methyl(propan-2-yl)amino]pyrazine-2-carboxamide
• PubChem CID: 167487253
• Molecular Formula: C19H28N6O
• Molecular Weight: 356.47 g/mol
• Exact Mass: 356.23
• IUPAC Name: 3-[3-(2-aminoethyl)anilino]-N,6-dimethyl-5-[methyl(propan-2-yl)amino]pyrazine-2-carboxamide
• SMILES: CNC(=O)c1nc(C)c(N(C)C(C)C)nc1Nc1cccc(CCN)c1
• InChI: InChI=1S/C19H28N6O/c1-12(2)25(5)18-13(3)22-16(19(26)21-4)17(24-18)23-15-8-6-7-14(11-15)9-10-20/h6-8,11-12H,9-10,20H2,1-5H3,(H,21,26)(H,23,24)
• InChIKey: UMSIJQPSZFXFFQ-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 96.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.47
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminoethyl)anilino]-N,6-dimethyl-5-[methyl(propan-2-yl)amino]pyrazine-2-carboxamide?

The IUPAC name of 3-[3-(2-aminoethyl)anilino]-N,6-dimethyl-5-[methyl(propan-2-yl)amino]pyrazine-2-carboxamide (CID 167487253) is 3-[3-(2-aminoethyl)anilino]-N,6-dimethyl-5-[methyl(propan-2-yl)amino]pyrazine-2-carboxamide.

What is the SMILES notation for 3-[3-(2-aminoethyl)anilino]-N,6-dimethyl-5-[methyl(propan-2-yl)amino]pyrazine-2-carboxamide?

The canonical SMILES for 3-[3-(2-aminoethyl)anilino]-N,6-dimethyl-5-[methyl(propan-2-yl)amino]pyrazine-2-carboxamide is CNC(=O)c1nc(C)c(N(C)C(C)C)nc1Nc1cccc(CCN)c1.

What is the InChIKey of 3-[3-(2-aminoethyl)anilino]-N,6-dimethyl-5-[methyl(propan-2-yl)amino]pyrazine-2-carboxamide?

The InChIKey is UMSIJQPSZFXFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-12(2)25(5)18-13(3)22-16(19(26)21-4)17(24-18)23-15-8-6-7-14(11-15)9-10-20/h6-8,11-12H,9-10,20H2,1-5H3,(H,21,26)(H,23,24).

What are the key properties of 3-[3-(2-aminoethyl)anilino]-N,6-dimethyl-5-[methyl(propan-2-yl)amino]pyrazine-2-carboxamide?

3-[3-(2-aminoethyl)anilino]-N,6-dimethyl-5-[methyl(propan-2-yl)amino]pyrazine-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(2-aminoethyl)anilino]-N,6-dimethyl-5-[methyl(propan-2-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 167487253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).