2-[methyl(2-pyridin-4-ylethyl)amino]-1-(1H-pyrrol-2-yl)ethanone

C14H17N3O — CID 54943540

IUPAC2-[methyl(2-pyridin-4-ylethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
SMILESCN(CCc1ccncc1)CC(=O)c1ccc[nH]1
InChIInChI=1S/C14H17N3O/c1-17(10-6-12-4-8-15-9-5-12)11-14(18)13-3-2-7-16-13/h2-5,7-9,16H,6,10-11H2,1H3
InChIKeyNHFWFMMSTGWJTA-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.77
Rot. Bonds6

About 2-[methyl(2-pyridin-4-ylethyl)amino]-1-(1H-pyrrol-2-yl)ethanone

2-[methyl(2-pyridin-4-ylethyl)amino]-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 54943540) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[methyl(2-pyridin-4-ylethyl)amino]-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-[methyl(2-pyridin-4-ylethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
PubChem CID54943540
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-[methyl(2-pyridin-4-ylethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
SMILESCN(CCc1ccncc1)CC(=O)c1ccc[nH]1
InChIInChI=1S/C14H17N3O/c1-17(10-6-12-4-8-15-9-5-12)11-14(18)13-3-2-7-16-13/h2-5,7-9,16H,6,10-11H2,1H3
InChIKeyNHFWFMMSTGWJTA-UHFFFAOYSA-N
XLogP1.77
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanone
CID 60913050
2-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 60914564
2-[2,2-difluoroethyl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 115611827
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(1H-pyrrol-2-yl)ethanone
CID 60681614
2-(dipropylamino)-1-(1H-pyrrol-2-yl)ethanone
CID 43219598
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one
CID 62624763
2-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine
CID 103067670
1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 62613135
N-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 65478370

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-pyridin-4-ylethyl)amino]-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-[methyl(2-pyridin-4-ylethyl)amino]-1-(1H-pyrrol-2-yl)ethanone (CID 54943540) is 2-[methyl(2-pyridin-4-ylethyl)amino]-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-[methyl(2-pyridin-4-ylethyl)amino]-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-[methyl(2-pyridin-4-ylethyl)amino]-1-(1H-pyrrol-2-yl)ethanone is CN(CCc1ccncc1)CC(=O)c1ccc[nH]1.
What is the InChIKey of 2-[methyl(2-pyridin-4-ylethyl)amino]-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is NHFWFMMSTGWJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17(10-6-12-4-8-15-9-5-12)11-14(18)13-3-2-7-16-13/h2-5,7-9,16H,6,10-11H2,1H3.
What are the key properties of 2-[methyl(2-pyridin-4-ylethyl)amino]-1-(1H-pyrrol-2-yl)ethanone?
2-[methyl(2-pyridin-4-ylethyl)amino]-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 243.31 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-pyridin-4-ylethyl)amino]-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 54943540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).