4-[6-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)-2-pyridinyl]morpholine

C17H27N3O — CID 102543376

IUPAC4-[6-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)-2-pyridinyl]morpholine
SMILESCc1nc(N2CCOCC2)ccc1C1CCCN1C(C)C
InChIInChI=1S/C17H27N3O/c1-13(2)20-8-4-5-16(20)15-6-7-17(18-14(15)3)19-9-11-21-12-10-19/h6-7,13,16H,4-5,8-12H2,1-3H3
InChIKeyVCAHMKNAEDZVLX-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.77
Rot. Bonds3

About 4-[6-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)-2-pyridinyl]morpholine

4-[6-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)-2-pyridinyl]morpholine (PubChem CID 102543376) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-[6-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[6-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)-2-pyridinyl]morpholine
PubChem CID102543376
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-[6-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)-2-pyridinyl]morpholine
SMILESCc1nc(N2CCOCC2)ccc1C1CCCN1C(C)C
InChIInChI=1S/C17H27N3O/c1-13(2)20-8-4-5-16(20)15-6-7-17(18-14(15)3)19-9-11-21-12-10-19/h6-7,13,16H,4-5,8-12H2,1-3H3
InChIKeyVCAHMKNAEDZVLX-UHFFFAOYSA-N
XLogP2.77
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[6-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)-2-pyridinyl]morpholine (CID 102543376) is 4-[6-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[6-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[6-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)-2-pyridinyl]morpholine is Cc1nc(N2CCOCC2)ccc1C1CCCN1C(C)C.
What is the InChIKey of 4-[6-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)-2-pyridinyl]morpholine?
The InChIKey is VCAHMKNAEDZVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)20-8-4-5-16(20)15-6-7-17(18-14(15)3)19-9-11-21-12-10-19/h6-7,13,16H,4-5,8-12H2,1-3H3.
What are the key properties of 4-[6-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)-2-pyridinyl]morpholine?
4-[6-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)-2-pyridinyl]morpholine has a molecular weight of 289.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 102543376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).