[2-(aminomethyl)-4-pyridinyl]-(1-methylimidazol-2-yl)methanone

C11H12N4O — CID 116601746

IUPAC[2-(aminomethyl)-4-pyridinyl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)c1ccnc(CN)c1
InChIInChI=1S/C11H12N4O/c1-15-5-4-14-11(15)10(16)8-2-3-13-9(6-8)7-12/h2-6H,7,12H2,1H3
InChIKeyRJXPEFYKVCCHKP-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.50
Rot. Bonds3

About [2-(aminomethyl)-4-pyridinyl]-(1-methylimidazol-2-yl)methanone

[2-(aminomethyl)-4-pyridinyl]-(1-methylimidazol-2-yl)methanone (PubChem CID 116601746) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is [2-(aminomethyl)-4-pyridinyl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-pyridinyl]-(1-methylimidazol-2-yl)methanone
PubChem CID116601746
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name[2-(aminomethyl)-4-pyridinyl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)c1ccnc(CN)c1
InChIInChI=1S/C11H12N4O/c1-15-5-4-14-11(15)10(16)8-2-3-13-9(6-8)7-12/h2-6H,7,12H2,1H3
InChIKeyRJXPEFYKVCCHKP-UHFFFAOYSA-N
XLogP0.50
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-pyridinyl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [2-(aminomethyl)-4-pyridinyl]-(1-methylimidazol-2-yl)methanone (CID 116601746) is [2-(aminomethyl)-4-pyridinyl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-pyridinyl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-pyridinyl]-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)c1ccnc(CN)c1.
What is the InChIKey of [2-(aminomethyl)-4-pyridinyl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is RJXPEFYKVCCHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-15-5-4-14-11(15)10(16)8-2-3-13-9(6-8)7-12/h2-6H,7,12H2,1H3.
What are the key properties of [2-(aminomethyl)-4-pyridinyl]-(1-methylimidazol-2-yl)methanone?
[2-(aminomethyl)-4-pyridinyl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 216.24 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-pyridinyl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 116601746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).