3-methyl-N-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]pyridin-4-amine

C15H20N4O — CID 56914796

IUPAC3-methyl-N-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]pyridin-4-amine
SMILESCc1cnccc1NCCn1ccnc1C1CCOC1
InChIInChI=1S/C15H20N4O/c1-12-10-16-4-2-14(12)17-5-7-19-8-6-18-15(19)13-3-9-20-11-13/h2,4,6,8,10,13H,3,5,7,9,11H2,1H3,(H,16,17)
InChIKeyZPKHROYUSXFPRB-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.20
Rot. Bonds5

About 3-methyl-N-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]pyridin-4-amine

3-methyl-N-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]pyridin-4-amine (PubChem CID 56914796) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-methyl-N-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-methyl-N-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]pyridin-4-amine
PubChem CID56914796
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-methyl-N-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]pyridin-4-amine
SMILESCc1cnccc1NCCn1ccnc1C1CCOC1
InChIInChI=1S/C15H20N4O/c1-12-10-16-4-2-14(12)17-5-7-19-8-6-18-15(19)13-3-9-20-11-13/h2,4,6,8,10,13H,3,5,7,9,11H2,1H3,(H,16,17)
InChIKeyZPKHROYUSXFPRB-UHFFFAOYSA-N
XLogP2.20
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]pyridin-4-amine?
The IUPAC name of 3-methyl-N-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]pyridin-4-amine (CID 56914796) is 3-methyl-N-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]pyridin-4-amine.
What is the SMILES notation for 3-methyl-N-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]pyridin-4-amine?
The canonical SMILES for 3-methyl-N-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]pyridin-4-amine is Cc1cnccc1NCCn1ccnc1C1CCOC1.
What is the InChIKey of 3-methyl-N-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]pyridin-4-amine?
The InChIKey is ZPKHROYUSXFPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12-10-16-4-2-14(12)17-5-7-19-8-6-18-15(19)13-3-9-20-11-13/h2,4,6,8,10,13H,3,5,7,9,11H2,1H3,(H,16,17).
What are the key properties of 3-methyl-N-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]pyridin-4-amine?
3-methyl-N-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]pyridin-4-amine has a molecular weight of 272.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]pyridin-4-amine is sourced from PubChem (CID 56914796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).