(1-methylimidazol-4-yl)-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]methanone

C20H22N6O — CID 110111745

IUPAC(1-methylimidazol-4-yl)-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]methanone
SMILESCn1cnc(C(=O)N2CCC(c3ccnc(Nc4ccccn4)c3)CC2)c1
InChIInChI=1S/C20H22N6O/c1-25-13-17(23-14-25)20(27)26-10-6-15(7-11-26)16-5-9-22-19(12-16)24-18-4-2-3-8-21-18/h2-5,8-9,12-15H,6-7,10-11H2,1H3,(H,21,22,24)
InChIKeyLNOBPUAQWYBKJG-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.97
Rot. Bonds4

About (1-methylimidazol-4-yl)-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]methanone

(1-methylimidazol-4-yl)-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]methanone (PubChem CID 110111745) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is (1-methylimidazol-4-yl)-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-4-yl)-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]methanone
PubChem CID110111745
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name(1-methylimidazol-4-yl)-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]methanone
SMILESCn1cnc(C(=O)N2CCC(c3ccnc(Nc4ccccn4)c3)CC2)c1
InChIInChI=1S/C20H22N6O/c1-25-13-17(23-14-25)20(27)26-10-6-15(7-11-26)16-5-9-22-19(12-16)24-18-4-2-3-8-21-18/h2-5,8-9,12-15H,6-7,10-11H2,1H3,(H,21,22,24)
InChIKeyLNOBPUAQWYBKJG-UHFFFAOYSA-N
XLogP2.97
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl)-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (1-methylimidazol-4-yl)-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]methanone (CID 110111745) is (1-methylimidazol-4-yl)-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylimidazol-4-yl)-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-methylimidazol-4-yl)-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]methanone is Cn1cnc(C(=O)N2CCC(c3ccnc(Nc4ccccn4)c3)CC2)c1.
What is the InChIKey of (1-methylimidazol-4-yl)-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is LNOBPUAQWYBKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-25-13-17(23-14-25)20(27)26-10-6-15(7-11-26)16-5-9-22-19(12-16)24-18-4-2-3-8-21-18/h2-5,8-9,12-15H,6-7,10-11H2,1H3,(H,21,22,24).
What are the key properties of (1-methylimidazol-4-yl)-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]methanone?
(1-methylimidazol-4-yl)-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 362.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-4-yl)-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110111745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).