2-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-N,N,4-trimethylpentanamide

C16H26N4O — CID 115596001

IUPAC2-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-N,N,4-trimethylpentanamide
SMILESCc1c(CNC(CC(C)C)C(=O)N(C)C)cc(C#N)n1C
InChIInChI=1S/C16H26N4O/c1-11(2)7-15(16(21)19(4)5)18-10-13-8-14(9-17)20(6)12(13)3/h8,11,15,18H,7,10H2,1-6H3
InChIKeySUUPQVIKQLGDQE-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.80
Rot. Bonds6

About 2-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-N,N,4-trimethylpentanamide

2-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-N,N,4-trimethylpentanamide (PubChem CID 115596001) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name2-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-N,N,4-trimethylpentanamide
PubChem CID115596001
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-N,N,4-trimethylpentanamide
SMILESCc1c(CNC(CC(C)C)C(=O)N(C)C)cc(C#N)n1C
InChIInChI=1S/C16H26N4O/c1-11(2)7-15(16(21)19(4)5)18-10-13-8-14(9-17)20(6)12(13)3/h8,11,15,18H,7,10H2,1-6H3
InChIKeySUUPQVIKQLGDQE-UHFFFAOYSA-N
XLogP1.80
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2-hydroxy-4-methylpentyl)amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 103631677
4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 94778637
1,5-dimethyl-4-[(4-methylsulfanylbutan-2-ylamino)methyl]pyrrole-2-carbonitrile
CID 115640075
2-[(2-bromo-4-methylphenyl)methylamino]-N,N,4-trimethylpentanamide
CID 115556733
4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 104865076
4-[[1-(2-chlorophenyl)ethylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115572779
4-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 104865078
1,5-dimethyl-4-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]pyrrole-2-carbonitrile
CID 41272010
1,5-dimethyl-4-[(1-pyridin-2-ylethylamino)methyl]pyrrole-2-carbonitrile
CID 115572777
4-[(cyclopropylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115581351
1,5-dimethyl-4-[(1-pyridin-3-ylethylamino)methyl]pyrrole-2-carbonitrile
CID 115572961
2-[(4-bromo-3-methylphenyl)methylamino]-N,N,4-trimethylpentanamide
CID 66473597

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-N,N,4-trimethylpentanamide?
The IUPAC name of 2-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-N,N,4-trimethylpentanamide (CID 115596001) is 2-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-N,N,4-trimethylpentanamide.
What is the SMILES notation for 2-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-N,N,4-trimethylpentanamide?
The canonical SMILES for 2-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-N,N,4-trimethylpentanamide is Cc1c(CNC(CC(C)C)C(=O)N(C)C)cc(C#N)n1C.
What is the InChIKey of 2-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-N,N,4-trimethylpentanamide?
The InChIKey is SUUPQVIKQLGDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11(2)7-15(16(21)19(4)5)18-10-13-8-14(9-17)20(6)12(13)3/h8,11,15,18H,7,10H2,1-6H3.
What are the key properties of 2-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-N,N,4-trimethylpentanamide?
2-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-N,N,4-trimethylpentanamide has a molecular weight of 290.41 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-N,N,4-trimethylpentanamide is sourced from PubChem (CID 115596001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).