4-[[3-(dimethylamino)-4-methylanilino]methyl]-1-methylpyrrole-2-carbonitrile

C16H20N4 — CID 103203486

IUPAC4-[[3-(dimethylamino)-4-methylanilino]methyl]-1-methylpyrrole-2-carbonitrile
SMILESCc1ccc(NCc2cc(C#N)n(C)c2)cc1N(C)C
InChIInChI=1S/C16H20N4/c1-12-5-6-14(8-16(12)19(2)3)18-10-13-7-15(9-17)20(4)11-13/h5-8,11,18H,10H2,1-4H3
InChIKeyMPXFRJCIFRSBGP-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.88
Rot. Bonds4

About 4-[[3-(dimethylamino)-4-methylanilino]methyl]-1-methylpyrrole-2-carbonitrile

4-[[3-(dimethylamino)-4-methylanilino]methyl]-1-methylpyrrole-2-carbonitrile (PubChem CID 103203486) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)-4-methylanilino]methyl]-1-methylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-[[3-(dimethylamino)-4-methylanilino]methyl]-1-methylpyrrole-2-carbonitrile
PubChem CID103203486
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name4-[[3-(dimethylamino)-4-methylanilino]methyl]-1-methylpyrrole-2-carbonitrile
SMILESCc1ccc(NCc2cc(C#N)n(C)c2)cc1N(C)C
InChIInChI=1S/C16H20N4/c1-12-5-6-14(8-16(12)19(2)3)18-10-13-7-15(9-17)20(4)11-13/h5-8,11,18H,10H2,1-4H3
InChIKeyMPXFRJCIFRSBGP-UHFFFAOYSA-N
XLogP2.88
TPSA43.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[(3-methyl-4-nitroanilino)methyl]pyrrole-2-carbonitrile
CID 103203197
4-[(3,4-dimethoxyanilino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202497
4-[(5-cyano-1-methylpyrrol-3-yl)methylamino]-N,N-dimethylbenzamide
CID 103202774
4-[(3-chloro-4-hydroxyanilino)methyl]-1-methylpyrrole-2-carbonitrile
CID 107678363
1-methyl-4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]pyrrole-2-carbonitrile
CID 103202567
1-N-[(1-ethylpyrrol-3-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376667
4-[(2,4-dimethylanilino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202443
2-[4-[(5-cyano-1-methylpyrrol-3-yl)methylamino]phenyl]-N-methylacetamide
CID 103202859
1-N-[(3,5-dichlorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376970
4-[(3-ethoxy-4-methoxyanilino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202930
4-[(4-ethoxy-3-methoxyanilino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202870
4-[(4-bromo-2,6-dimethylanilino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103203078

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)-4-methylanilino]methyl]-1-methylpyrrole-2-carbonitrile?
The IUPAC name of 4-[[3-(dimethylamino)-4-methylanilino]methyl]-1-methylpyrrole-2-carbonitrile (CID 103203486) is 4-[[3-(dimethylamino)-4-methylanilino]methyl]-1-methylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-[[3-(dimethylamino)-4-methylanilino]methyl]-1-methylpyrrole-2-carbonitrile?
The canonical SMILES for 4-[[3-(dimethylamino)-4-methylanilino]methyl]-1-methylpyrrole-2-carbonitrile is Cc1ccc(NCc2cc(C#N)n(C)c2)cc1N(C)C.
What is the InChIKey of 4-[[3-(dimethylamino)-4-methylanilino]methyl]-1-methylpyrrole-2-carbonitrile?
The InChIKey is MPXFRJCIFRSBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12-5-6-14(8-16(12)19(2)3)18-10-13-7-15(9-17)20(4)11-13/h5-8,11,18H,10H2,1-4H3.
What are the key properties of 4-[[3-(dimethylamino)-4-methylanilino]methyl]-1-methylpyrrole-2-carbonitrile?
4-[[3-(dimethylamino)-4-methylanilino]methyl]-1-methylpyrrole-2-carbonitrile has a molecular weight of 268.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)-4-methylanilino]methyl]-1-methylpyrrole-2-carbonitrile is sourced from PubChem (CID 103203486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).