2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-4-propylmorpholine

C18H25N3O — CID 59645259

IUPAC2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-4-propylmorpholine
SMILESCCCN1CCOC(c2ccc(-n3c(C)ccc3C)nc2)C1
InChIInChI=1S/C18H25N3O/c1-4-9-20-10-11-22-17(13-20)16-7-8-18(19-12-16)21-14(2)5-6-15(21)3/h5-8,12,17H,4,9-11,13H2,1-3H3
InChIKeyILCFCSVVNVQBKX-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.27
Rot. Bonds4

About 2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-4-propylmorpholine

2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-4-propylmorpholine (PubChem CID 59645259) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-4-propylmorpholine.

Molecular Properties

Compound Name2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-4-propylmorpholine
PubChem CID59645259
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-4-propylmorpholine
SMILESCCCN1CCOC(c2ccc(-n3c(C)ccc3C)nc2)C1
InChIInChI=1S/C18H25N3O/c1-4-9-20-10-11-22-17(13-20)16-7-8-18(19-12-16)21-14(2)5-6-15(21)3/h5-8,12,17H,4,9-11,13H2,1-3H3
InChIKeyILCFCSVVNVQBKX-UHFFFAOYSA-N
XLogP3.27
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

[2-(4-propylmorpholin-2-yl)-1H-imidazol-5-yl]methanamine
CID 79657962
2-(2-bromophenyl)-4-propylmorpholine
CID 82184644
2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
CID 79668919
2-[2-(4-butoxyphenyl)morpholin-4-yl]ethanol;hydrochloride
CID 141298267
2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde
CID 79657119
5-bromo-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657263
2-(3-phenylmethoxyphenyl)-4-propylmorpholine
CID 15006489
4-cyclopropyl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 79664457
1-[4,6-dimethyl-2-(4-propylmorpholin-2-yl)pyrimidin-5-yl]-N-methylmethanamine
CID 79657347
(2S)-2-(3,4-dichlorophenyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine
CID 95557665
4-propan-2-yl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 79664456
4-[(2S)-4-ethylmorpholin-2-yl]phenol
CID 71422679

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-4-propylmorpholine?
The IUPAC name of 2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-4-propylmorpholine (CID 59645259) is 2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-4-propylmorpholine.
What is the SMILES notation for 2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-4-propylmorpholine?
The canonical SMILES for 2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-4-propylmorpholine is CCCN1CCOC(c2ccc(-n3c(C)ccc3C)nc2)C1.
What is the InChIKey of 2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-4-propylmorpholine?
The InChIKey is ILCFCSVVNVQBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-4-9-20-10-11-22-17(13-20)16-7-8-18(19-12-16)21-14(2)5-6-15(21)3/h5-8,12,17H,4,9-11,13H2,1-3H3.
What are the key properties of 2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-4-propylmorpholine?
2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-4-propylmorpholine has a molecular weight of 299.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-4-propylmorpholine is sourced from PubChem (CID 59645259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).