[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone

C19H22N4O — CID 125444576

IUPAC[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone
SMILESCC[C@H]1C=CCN1C(=O)c1ccc(-c2cncc(N(C)C)n2)cc1
InChIInChI=1S/C19H22N4O/c1-4-16-6-5-11-23(16)19(24)15-9-7-14(8-10-15)17-12-20-13-18(21-17)22(2)3/h5-10,12-13,16H,4,11H2,1-3H3/t16-/m0/s1
InChIKeyCVKKZYQWBLTGEG-INIZCTEOSA-N
MW322.41 g/mol
LogP3.00
Rot. Bonds4

About [4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone

[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone (PubChem CID 125444576) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is [4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone.

Molecular Properties

Compound Name[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone
PubChem CID125444576
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone
SMILESCC[C@H]1C=CCN1C(=O)c1ccc(-c2cncc(N(C)C)n2)cc1
InChIInChI=1S/C19H22N4O/c1-4-16-6-5-11-23(16)19(24)15-9-7-14(8-10-15)17-12-20-13-18(21-17)22(2)3/h5-10,12-13,16H,4,11H2,1-3H3/t16-/m0/s1
InChIKeyCVKKZYQWBLTGEG-INIZCTEOSA-N
XLogP3.00
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2-ethyl-2,5-dihydropyrrol-1-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 131902419
(4,4-difluoropiperidin-1-yl)-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]methanone
CID 122563535
[4-[(2S)-2-ethyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-morpholin-4-ylmethanone
CID 164638599
2-[4-[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-N-methylpyridine-4-carboxamide
CID 126430092
(3,5-dichloro-4-methoxyphenyl)-(2-ethyl-2,5-dihydropyrrol-1-yl)methanone
CID 131928651
2-[4-[4-[(2S)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]pyrazol-1-yl]-N-methylacetamide
CID 125435037
[(2S)-2-(aminomethyl)-2,5-dihydropyrrol-1-yl]-phenylmethanone
CID 68890298
4-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide
CID 122565737
6-[4-[1-(dimethylamino)ethyl]phenyl]-N,N-dimethylpyrazin-2-amine
CID 74243404
4-[6-(dimethylamino)pyrazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide
CID 122570345
[3-[6-(dimethylamino)pyrazin-2-yl]phenyl]-[(3R)-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 125435955
1-[4-[2-(2-ethyl-2,5-dihydropyrrol-1-yl)-2-oxoethoxy]phenyl]propan-1-one
CID 46990261

Frequently Asked Questions

What is the IUPAC name of [4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone?
The IUPAC name of [4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone (CID 125444576) is [4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone.
What is the SMILES notation for [4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone?
The canonical SMILES for [4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone is CC[C@H]1C=CCN1C(=O)c1ccc(-c2cncc(N(C)C)n2)cc1.
What is the InChIKey of [4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone?
The InChIKey is CVKKZYQWBLTGEG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N4O/c1-4-16-6-5-11-23(16)19(24)15-9-7-14(8-10-15)17-12-20-13-18(21-17)22(2)3/h5-10,12-13,16H,4,11H2,1-3H3/t16-/m0/s1.
What are the key properties of [4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone?
[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone has a molecular weight of 322.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone is sourced from PubChem (CID 125444576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).