1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone

C17H23N3O — CID 62052013

IUPAC1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
SMILESCCn1c(C)cc(C(=O)CN(C)Cc2cccnc2)c1C
InChIInChI=1S/C17H23N3O/c1-5-20-13(2)9-16(14(20)3)17(21)12-19(4)11-15-7-6-8-18-10-15/h6-10H,5,11-12H2,1-4H3
InChIKeyBLFIOWDCYXNAOW-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.83
Rot. Bonds6

About 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone

1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone (PubChem CID 62052013) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
PubChem CID62052013
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
SMILESCCn1c(C)cc(C(=O)CN(C)Cc2cccnc2)c1C
InChIInChI=1S/C17H23N3O/c1-5-20-13(2)9-16(14(20)3)17(21)12-19(4)11-15-7-6-8-18-10-15/h6-10H,5,11-12H2,1-4H3
InChIKeyBLFIOWDCYXNAOW-UHFFFAOYSA-N
XLogP2.83
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(N-methylanilino)ethanone
CID 43226577
2-(diethylamino)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 43226614
4-[[[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9123949
1-benzyl-N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 86824271
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 28856404
1-(3-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 60650680
1-benzyl-2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide
CID 78806465
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 135088813
1-(2-bromophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 62629518
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432206
N,2,5-trimethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 78784155
4-[methyl(pyridin-3-ylmethyl)amino]-3-oxobutanenitrile
CID 117038514

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?
The IUPAC name of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone (CID 62052013) is 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone is CCn1c(C)cc(C(=O)CN(C)Cc2cccnc2)c1C.
What is the InChIKey of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?
The InChIKey is BLFIOWDCYXNAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-20-13(2)9-16(14(20)3)17(21)12-19(4)11-15-7-6-8-18-10-15/h6-10H,5,11-12H2,1-4H3.
What are the key properties of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone?
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone has a molecular weight of 285.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone is sourced from PubChem (CID 62052013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).