2-[ethyl(pyridin-4-ylmethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone

C15H19N3O — CID 62052291

IUPAC2-[ethyl(pyridin-4-ylmethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
SMILESCCN(CC(=O)c1ccn(C)c1)Cc1ccncc1
InChIInChI=1S/C15H19N3O/c1-3-18(10-13-4-7-16-8-5-13)12-15(19)14-6-9-17(2)11-14/h4-9,11H,3,10,12H2,1-2H3
InChIKeyJTBUOCUZANILQJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.12
Rot. Bonds6

About 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone

2-[ethyl(pyridin-4-ylmethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone (PubChem CID 62052291) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[ethyl(pyridin-4-ylmethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
PubChem CID62052291
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[ethyl(pyridin-4-ylmethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
SMILESCCN(CC(=O)c1ccn(C)c1)Cc1ccncc1
InChIInChI=1S/C15H19N3O/c1-3-18(10-13-4-7-16-8-5-13)12-15(19)14-6-9-17(2)11-14/h4-9,11H,3,10,12H2,1-2H3
InChIKeyJTBUOCUZANILQJ-UHFFFAOYSA-N
XLogP2.12
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 62052112
2-[ethyl-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]amino]-N,N-dimethylacetamide
CID 62037280
2-[ethyl(2,2,2-trifluoroethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 55010595
1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one
CID 107507295
2-[ethyl(pyridin-4-ylmethyl)amino]acetohydrazide
CID 63584522
1-[2-[ethyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-one
CID 60684459
1-(3-bromothiophen-2-yl)-2-[ethyl(pyridin-4-ylmethyl)amino]ethanone
CID 62052106
2-[methyl(propyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 43795621
propan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate
CID 54940295
2-[(4-bromophenyl)methyl-methylamino]-1-(1-methylpyrrol-3-yl)ethanone
CID 62030742
N-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide
CID 54948657
2-[ethyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone
CID 113448768

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone?
The IUPAC name of 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone (CID 62052291) is 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone is CCN(CC(=O)c1ccn(C)c1)Cc1ccncc1.
What is the InChIKey of 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone?
The InChIKey is JTBUOCUZANILQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-18(10-13-4-7-16-8-5-13)12-15(19)14-6-9-17(2)11-14/h4-9,11H,3,10,12H2,1-2H3.
What are the key properties of 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone?
2-[ethyl(pyridin-4-ylmethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone has a molecular weight of 257.34 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone is sourced from PubChem (CID 62052291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).