1-[(2-amino-3-pyridinyl)methyl]pyrrole-2-carbonitrile

C11H10N4 — CID 114652377

IUPAC1-[(2-amino-3-pyridinyl)methyl]pyrrole-2-carbonitrile
SMILESN#Cc1cccn1Cc1cccnc1N
InChIInChI=1S/C11H10N4/c12-7-10-4-2-6-15(10)8-9-3-1-5-14-11(9)13/h1-6H,8H2,(H2,13,14)
InChIKeyGRNWTWWVARPEOD-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.39
Rot. Bonds2

About 1-[(2-amino-3-pyridinyl)methyl]pyrrole-2-carbonitrile

1-[(2-amino-3-pyridinyl)methyl]pyrrole-2-carbonitrile (PubChem CID 114652377) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 1-[(2-amino-3-pyridinyl)methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-[(2-amino-3-pyridinyl)methyl]pyrrole-2-carbonitrile
PubChem CID114652377
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name1-[(2-amino-3-pyridinyl)methyl]pyrrole-2-carbonitrile
SMILESN#Cc1cccn1Cc1cccnc1N
InChIInChI=1S/C11H10N4/c12-7-10-4-2-6-15(10)8-9-3-1-5-14-11(9)13/h1-6H,8H2,(H2,13,14)
InChIKeyGRNWTWWVARPEOD-UHFFFAOYSA-N
XLogP1.39
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-3-pyridinyl)methyl]pyrrole-2-carbonitrile?
The IUPAC name of 1-[(2-amino-3-pyridinyl)methyl]pyrrole-2-carbonitrile (CID 114652377) is 1-[(2-amino-3-pyridinyl)methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1-[(2-amino-3-pyridinyl)methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1-[(2-amino-3-pyridinyl)methyl]pyrrole-2-carbonitrile is N#Cc1cccn1Cc1cccnc1N.
What is the InChIKey of 1-[(2-amino-3-pyridinyl)methyl]pyrrole-2-carbonitrile?
The InChIKey is GRNWTWWVARPEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c12-7-10-4-2-6-15(10)8-9-3-1-5-14-11(9)13/h1-6H,8H2,(H2,13,14).
What are the key properties of 1-[(2-amino-3-pyridinyl)methyl]pyrrole-2-carbonitrile?
1-[(2-amino-3-pyridinyl)methyl]pyrrole-2-carbonitrile has a molecular weight of 198.23 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-3-pyridinyl)methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 114652377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).