6-(2-methylimidazol-1-yl)-N-(oxepan-4-yl)pyridin-3-amine

C15H20N4O — CID 65081498

IUPAC6-(2-methylimidazol-1-yl)-N-(oxepan-4-yl)pyridin-3-amine
SMILESCc1nccn1-c1ccc(NC2CCCOCC2)cn1
InChIInChI=1S/C15H20N4O/c1-12-16-7-8-19(12)15-5-4-14(11-17-15)18-13-3-2-9-20-10-6-13/h4-5,7-8,11,13,18H,2-3,6,9-10H2,1H3
InChIKeyFRDFYBCETQDHPL-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.56
Rot. Bonds3

About 6-(2-methylimidazol-1-yl)-N-(oxepan-4-yl)pyridin-3-amine

6-(2-methylimidazol-1-yl)-N-(oxepan-4-yl)pyridin-3-amine (PubChem CID 65081498) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-(2-methylimidazol-1-yl)-N-(oxepan-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-(2-methylimidazol-1-yl)-N-(oxepan-4-yl)pyridin-3-amine
PubChem CID65081498
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name6-(2-methylimidazol-1-yl)-N-(oxepan-4-yl)pyridin-3-amine
SMILESCc1nccn1-c1ccc(NC2CCCOCC2)cn1
InChIInChI=1S/C15H20N4O/c1-12-16-7-8-19(12)15-5-4-14(11-17-15)18-13-3-2-9-20-10-6-13/h4-5,7-8,11,13,18H,2-3,6,9-10H2,1H3
InChIKeyFRDFYBCETQDHPL-UHFFFAOYSA-N
XLogP2.56
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylimidazol-1-yl)-N-(oxepan-4-yl)pyridin-3-amine?
The IUPAC name of 6-(2-methylimidazol-1-yl)-N-(oxepan-4-yl)pyridin-3-amine (CID 65081498) is 6-(2-methylimidazol-1-yl)-N-(oxepan-4-yl)pyridin-3-amine.
What is the SMILES notation for 6-(2-methylimidazol-1-yl)-N-(oxepan-4-yl)pyridin-3-amine?
The canonical SMILES for 6-(2-methylimidazol-1-yl)-N-(oxepan-4-yl)pyridin-3-amine is Cc1nccn1-c1ccc(NC2CCCOCC2)cn1.
What is the InChIKey of 6-(2-methylimidazol-1-yl)-N-(oxepan-4-yl)pyridin-3-amine?
The InChIKey is FRDFYBCETQDHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12-16-7-8-19(12)15-5-4-14(11-17-15)18-13-3-2-9-20-10-6-13/h4-5,7-8,11,13,18H,2-3,6,9-10H2,1H3.
What are the key properties of 6-(2-methylimidazol-1-yl)-N-(oxepan-4-yl)pyridin-3-amine?
6-(2-methylimidazol-1-yl)-N-(oxepan-4-yl)pyridin-3-amine has a molecular weight of 272.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylimidazol-1-yl)-N-(oxepan-4-yl)pyridin-3-amine is sourced from PubChem (CID 65081498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).