3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-[(2-amino-2-oxoethyl)-methylamino]-3-pyridinyl]pyrazine-2-carboxamide

C21H24N8O2 — CID 167178687

IUPAC3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-[(2-amino-2-oxoethyl)-methylamino]-3-pyridinyl]pyrazine-2-carboxamide
SMILESCN(CC(N)=O)c1ccncc1NC(=O)c1nc(-c2ccc(CCN)cc2)cnc1N
InChIInChI=1S/C21H24N8O2/c1-29(12-18(23)30)17-7-9-25-10-16(17)28-21(31)19-20(24)26-11-15(27-19)14-4-2-13(3-5-14)6-8-22/h2-5,7,9-11H,6,8,12,22H2,1H3,(H2,23,30)(H2,24,26)(H,28,31)
InChIKeyWMZNSIWSHNDGQE-UHFFFAOYSA-N
MW420.48 g/mol
LogP0.80
Rot. Bonds8

About 3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-[(2-amino-2-oxoethyl)-methylamino]-3-pyridinyl]pyrazine-2-carboxamide

3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-[(2-amino-2-oxoethyl)-methylamino]-3-pyridinyl]pyrazine-2-carboxamide (PubChem CID 167178687) has the molecular formula C21H24N8O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-[(2-amino-2-oxoethyl)-methylamino]-3-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-[(2-amino-2-oxoethyl)-methylamino]-3-pyridinyl]pyrazine-2-carboxamide
PubChem CID167178687
Molecular FormulaC21H24N8O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-[(2-amino-2-oxoethyl)-methylamino]-3-pyridinyl]pyrazine-2-carboxamide
SMILESCN(CC(N)=O)c1ccncc1NC(=O)c1nc(-c2ccc(CCN)cc2)cnc1N
InChIInChI=1S/C21H24N8O2/c1-29(12-18(23)30)17-7-9-25-10-16(17)28-21(31)19-20(24)26-11-15(27-19)14-4-2-13(3-5-14)6-8-22/h2-5,7,9-11H,6,8,12,22H2,1H3,(H2,23,30)(H2,24,26)(H,28,31)
InChIKeyWMZNSIWSHNDGQE-UHFFFAOYSA-N
XLogP0.80
TPSA166.14 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-[(2-amino-2-oxoethyl)-methylamino]-3-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-[(2-amino-2-oxoethyl)-methylamino]-3-pyridinyl]pyrazine-2-carboxamide (CID 167178687) is 3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-[(2-amino-2-oxoethyl)-methylamino]-3-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-[(2-amino-2-oxoethyl)-methylamino]-3-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-[(2-amino-2-oxoethyl)-methylamino]-3-pyridinyl]pyrazine-2-carboxamide is CN(CC(N)=O)c1ccncc1NC(=O)c1nc(-c2ccc(CCN)cc2)cnc1N.
What is the InChIKey of 3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-[(2-amino-2-oxoethyl)-methylamino]-3-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is WMZNSIWSHNDGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O2/c1-29(12-18(23)30)17-7-9-25-10-16(17)28-21(31)19-20(24)26-11-15(27-19)14-4-2-13(3-5-14)6-8-22/h2-5,7,9-11H,6,8,12,22H2,1H3,(H2,23,30)(H2,24,26)(H,28,31).
What are the key properties of 3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-[(2-amino-2-oxoethyl)-methylamino]-3-pyridinyl]pyrazine-2-carboxamide?
3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-[(2-amino-2-oxoethyl)-methylamino]-3-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 420.48 g/mol, XLogP of 0.80, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-[(2-amino-2-oxoethyl)-methylamino]-3-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 167178687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).