4-amino-N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrrole-2-carboxamide

C11H13N5O — CID 55121841

IUPAC4-amino-N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1cnc(CNC(=O)c2cc(N)c[nH]2)cn1
InChIInChI=1S/C11H13N5O/c1-7-3-14-9(5-13-7)6-16-11(17)10-2-8(12)4-15-10/h2-5,15H,6,12H2,1H3,(H,16,17)
InChIKeyUJJUIWXBONWKIU-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.63
Rot. Bonds3

About 4-amino-N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrrole-2-carboxamide

4-amino-N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 55121841) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-amino-N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID55121841
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name4-amino-N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1cnc(CNC(=O)c2cc(N)c[nH]2)cn1
InChIInChI=1S/C11H13N5O/c1-7-3-14-9(5-13-7)6-16-11(17)10-2-8(12)4-15-10/h2-5,15H,6,12H2,1H3,(H,16,17)
InChIKeyUJJUIWXBONWKIU-UHFFFAOYSA-N
XLogP0.63
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrrole-2-carboxamide (CID 55121841) is 4-amino-N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrrole-2-carboxamide is Cc1cnc(CNC(=O)c2cc(N)c[nH]2)cn1.
What is the InChIKey of 4-amino-N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is UJJUIWXBONWKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7-3-14-9(5-13-7)6-16-11(17)10-2-8(12)4-15-10/h2-5,15H,6,12H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrrole-2-carboxamide?
4-amino-N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 55121841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).