(2S)-1-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]butan-2-amine

C14H20N4O — CID 164633611

IUPAC(2S)-1-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]butan-2-amine
SMILESCC[C@@H](Cn1ccnc1)NCc1ccc(OC)nc1
InChIInChI=1S/C14H20N4O/c1-3-13(10-18-7-6-15-11-18)16-8-12-4-5-14(19-2)17-9-12/h4-7,9,11,13,16H,3,8,10H2,1-2H3/t13-/m0/s1
InChIKeyFKSHGLICJVCPRG-ZDUSSCGKSA-N
MW260.34 g/mol
LogP1.86
Rot. Bonds7

About (2S)-1-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]butan-2-amine

(2S)-1-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]butan-2-amine (PubChem CID 164633611) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (2S)-1-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]butan-2-amine.

Molecular Properties

Compound Name(2S)-1-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]butan-2-amine
PubChem CID164633611
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(2S)-1-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]butan-2-amine
SMILESCC[C@@H](Cn1ccnc1)NCc1ccc(OC)nc1
InChIInChI=1S/C14H20N4O/c1-3-13(10-18-7-6-15-11-18)16-8-12-4-5-14(19-2)17-9-12/h4-7,9,11,13,16H,3,8,10H2,1-2H3/t13-/m0/s1
InChIKeyFKSHGLICJVCPRG-ZDUSSCGKSA-N
XLogP1.86
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]butan-2-amine?
The IUPAC name of (2S)-1-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]butan-2-amine (CID 164633611) is (2S)-1-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]butan-2-amine.
What is the SMILES notation for (2S)-1-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]butan-2-amine?
The canonical SMILES for (2S)-1-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]butan-2-amine is CC[C@@H](Cn1ccnc1)NCc1ccc(OC)nc1.
What is the InChIKey of (2S)-1-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]butan-2-amine?
The InChIKey is FKSHGLICJVCPRG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-13(10-18-7-6-15-11-18)16-8-12-4-5-14(19-2)17-9-12/h4-7,9,11,13,16H,3,8,10H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-1-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]butan-2-amine?
(2S)-1-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]butan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]butan-2-amine is sourced from PubChem (CID 164633611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).