(2,3-dimethylpiperazin-1-yl)-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanone

C18H24N4O — CID 120571350

IUPAC(2,3-dimethylpiperazin-1-yl)-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCNC(C)C2C)c(C)n1-c1ccccn1
InChIInChI=1S/C18H24N4O/c1-12-11-16(15(4)22(12)17-7-5-6-8-20-17)18(23)21-10-9-19-13(2)14(21)3/h5-8,11,13-14,19H,9-10H2,1-4H3
InChIKeyATMOBQMQQBWXDD-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.31
Rot. Bonds2

About (2,3-dimethylpiperazin-1-yl)-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanone

(2,3-dimethylpiperazin-1-yl)-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanone (PubChem CID 120571350) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (2,3-dimethylpiperazin-1-yl)-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylpiperazin-1-yl)-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanone
PubChem CID120571350
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(2,3-dimethylpiperazin-1-yl)-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCNC(C)C2C)c(C)n1-c1ccccn1
InChIInChI=1S/C18H24N4O/c1-12-11-16(15(4)22(12)17-7-5-6-8-20-17)18(23)21-10-9-19-13(2)14(21)3/h5-8,11,13-14,19H,9-10H2,1-4H3
InChIKeyATMOBQMQQBWXDD-UHFFFAOYSA-N
XLogP2.31
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-1-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116249
(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 55931165
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanone
CID 120659674
2,5-dimethyl-N-(2-methylpiperidin-4-yl)-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 120600445
[(3R)-3-aminopyrrolidin-1-yl]-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanone
CID 119412148
(2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572277
1-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354818
(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[(3R)-3-(2-hydroxyethyl)morpholin-4-yl]methanone
CID 97251314
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanone
CID 55634841
(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 78863039
1-[4-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56520501
(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97331532

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperazin-1-yl)-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanone?
The IUPAC name of (2,3-dimethylpiperazin-1-yl)-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanone (CID 120571350) is (2,3-dimethylpiperazin-1-yl)-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanone.
What is the SMILES notation for (2,3-dimethylpiperazin-1-yl)-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanone?
The canonical SMILES for (2,3-dimethylpiperazin-1-yl)-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanone is Cc1cc(C(=O)N2CCNC(C)C2C)c(C)n1-c1ccccn1.
What is the InChIKey of (2,3-dimethylpiperazin-1-yl)-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanone?
The InChIKey is ATMOBQMQQBWXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12-11-16(15(4)22(12)17-7-5-6-8-20-17)18(23)21-10-9-19-13(2)14(21)3/h5-8,11,13-14,19H,9-10H2,1-4H3.
What are the key properties of (2,3-dimethylpiperazin-1-yl)-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanone?
(2,3-dimethylpiperazin-1-yl)-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanone has a molecular weight of 312.42 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperazin-1-yl)-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanone is sourced from PubChem (CID 120571350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).