2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyridin-3-amine

C17H18N4 — CID 79179103

IUPAC2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyridin-3-amine
SMILESCc1ncccc1NCc1cnc(C)n1-c1ccccc1
InChIInChI=1S/C17H18N4/c1-13-17(9-6-10-18-13)20-12-16-11-19-14(2)21(16)15-7-4-3-5-8-15/h3-11,20H,12H2,1-2H3
InChIKeyQEADIKIDVADWGW-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.50
Rot. Bonds4

About 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyridin-3-amine

2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyridin-3-amine (PubChem CID 79179103) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyridin-3-amine
PubChem CID79179103
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyridin-3-amine
SMILESCc1ncccc1NCc1cnc(C)n1-c1ccccc1
InChIInChI=1S/C17H18N4/c1-13-17(9-6-10-18-13)20-12-16-11-19-14(2)21(16)15-7-4-3-5-8-15/h3-11,20H,12H2,1-2H3
InChIKeyQEADIKIDVADWGW-UHFFFAOYSA-N
XLogP3.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyridin-3-amine?
The IUPAC name of 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyridin-3-amine (CID 79179103) is 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyridin-3-amine?
The canonical SMILES for 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyridin-3-amine is Cc1ncccc1NCc1cnc(C)n1-c1ccccc1.
What is the InChIKey of 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyridin-3-amine?
The InChIKey is QEADIKIDVADWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-13-17(9-6-10-18-13)20-12-16-11-19-14(2)21(16)15-7-4-3-5-8-15/h3-11,20H,12H2,1-2H3.
What are the key properties of 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyridin-3-amine?
2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyridin-3-amine has a molecular weight of 278.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 79179103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).