(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone

C18H23N3O2 — CID 95584396

IUPAC(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone
SMILESCC[C@@H]1CN(C(=O)c2cc(C)n(-c3cccnc3)c2C)CCO1
InChIInChI=1S/C18H23N3O2/c1-4-16-12-20(8-9-23-16)18(22)17-10-13(2)21(14(17)3)15-6-5-7-19-11-15/h5-7,10-11,16H,4,8-9,12H2,1-3H3/t16-/m1/s1
InChIKeyVVUNHFBUCRRMDT-MRXNPFEDSA-N
MW313.40 g/mol
LogP2.74
Rot. Bonds3

About (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone

(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone (PubChem CID 95584396) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone
PubChem CID95584396
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone
SMILESCC[C@@H]1CN(C(=O)c2cc(C)n(-c3cccnc3)c2C)CCO1
InChIInChI=1S/C18H23N3O2/c1-4-16-12-20(8-9-23-16)18(22)17-10-13(2)21(14(17)3)15-6-5-7-19-11-15/h5-7,10-11,16H,4,8-9,12H2,1-3H3/t16-/m1/s1
InChIKeyVVUNHFBUCRRMDT-MRXNPFEDSA-N
XLogP2.74
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone
CID 97067813
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methanone
CID 95591997
2-[4-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]morpholin-2-yl]acetic acid
CID 120527598
(2S)-4-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)morpholine-2-carboxamide
CID 94371459
2-[4-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrole-3-carbonyl]morpholin-2-yl]acetic acid
CID 119248444
[(2R)-2-ethylmorpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone
CID 94023356
methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79806240
(2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 62170253
(2-ethylmorpholin-4-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81242863
2-[(2S)-4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]morpholin-2-yl]acetic acid
CID 125132212
(3,4-dichlorophenyl)-[1-(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)piperidin-4-yl]methanone
CID 55979056
[2-(ethylamino)-5-methylphenyl]-(2-ethylmorpholin-4-yl)methanone
CID 62510031

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone?
The IUPAC name of (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone (CID 95584396) is (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone.
What is the SMILES notation for (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone?
The canonical SMILES for (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone is CC[C@@H]1CN(C(=O)c2cc(C)n(-c3cccnc3)c2C)CCO1.
What is the InChIKey of (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone?
The InChIKey is VVUNHFBUCRRMDT-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-16-12-20(8-9-23-16)18(22)17-10-13(2)21(14(17)3)15-6-5-7-19-11-15/h5-7,10-11,16H,4,8-9,12H2,1-3H3/t16-/m1/s1.
What are the key properties of (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone?
(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone has a molecular weight of 313.40 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone is sourced from PubChem (CID 95584396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).