2-methoxy-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone

C18H22N4O2 — CID 110265105

IUPAC2-methoxy-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC1c1cccc(Nc2cccc(C)n2)n1
InChIInChI=1S/C18H22N4O2/c1-13-6-3-9-16(19-13)21-17-10-4-7-14(20-17)15-8-5-11-22(15)18(23)12-24-2/h3-4,6-7,9-10,15H,5,8,11-12H2,1-2H3,(H,19,20,21)
InChIKeyGCMKYXXNFBDCMP-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.84
Rot. Bonds5

About 2-methoxy-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone

2-methoxy-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone (PubChem CID 110265105) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-methoxy-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
PubChem CID110265105
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-methoxy-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC1c1cccc(Nc2cccc(C)n2)n1
InChIInChI=1S/C18H22N4O2/c1-13-6-3-9-16(19-13)21-17-10-4-7-14(20-17)15-8-5-11-22(15)18(23)12-24-2/h3-4,6-7,9-10,15H,5,8,11-12H2,1-2H3,(H,19,20,21)
InChIKeyGCMKYXXNFBDCMP-UHFFFAOYSA-N
XLogP2.84
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone (CID 110265105) is 2-methoxy-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone is COCC(=O)N1CCCC1c1cccc(Nc2cccc(C)n2)n1.
What is the InChIKey of 2-methoxy-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The InChIKey is GCMKYXXNFBDCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-6-3-9-16(19-13)21-17-10-4-7-14(20-17)15-8-5-11-22(15)18(23)12-24-2/h3-4,6-7,9-10,15H,5,8,11-12H2,1-2H3,(H,19,20,21).
What are the key properties of 2-methoxy-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone?
2-methoxy-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone has a molecular weight of 326.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110265105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).