1,5-dimethyl-4-[(1-pyridin-3-ylethylamino)methyl]pyrrole-2-carbonitrile

C15H18N4 — CID 115572961

IUPAC1,5-dimethyl-4-[(1-pyridin-3-ylethylamino)methyl]pyrrole-2-carbonitrile
SMILESCc1c(CNC(C)c2cccnc2)cc(C#N)n1C
InChIInChI=1S/C15H18N4/c1-11(13-5-4-6-17-9-13)18-10-14-7-15(8-16)19(3)12(14)2/h4-7,9,11,18H,10H2,1-3H3
InChIKeyHYOYZPLDRFCJIN-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.45
Rot. Bonds4

About 1,5-dimethyl-4-[(1-pyridin-3-ylethylamino)methyl]pyrrole-2-carbonitrile

1,5-dimethyl-4-[(1-pyridin-3-ylethylamino)methyl]pyrrole-2-carbonitrile (PubChem CID 115572961) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1,5-dimethyl-4-[(1-pyridin-3-ylethylamino)methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1,5-dimethyl-4-[(1-pyridin-3-ylethylamino)methyl]pyrrole-2-carbonitrile
PubChem CID115572961
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name1,5-dimethyl-4-[(1-pyridin-3-ylethylamino)methyl]pyrrole-2-carbonitrile
SMILESCc1c(CNC(C)c2cccnc2)cc(C#N)n1C
InChIInChI=1S/C15H18N4/c1-11(13-5-4-6-17-9-13)18-10-14-7-15(8-16)19(3)12(14)2/h4-7,9,11,18H,10H2,1-3H3
InChIKeyHYOYZPLDRFCJIN-UHFFFAOYSA-N
XLogP2.45
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 104865076
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-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 104865078
4-[[1-(2-chlorophenyl)ethylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115572779
3-fluoro-4-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile
CID 81405303
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 43524835
N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 104853862
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 81406474
5-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]thiophene-2-carbonitrile
CID 113250098
2-[2-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenoxy]acetonitrile
CID 81407639

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[(1-pyridin-3-ylethylamino)methyl]pyrrole-2-carbonitrile?
The IUPAC name of 1,5-dimethyl-4-[(1-pyridin-3-ylethylamino)methyl]pyrrole-2-carbonitrile (CID 115572961) is 1,5-dimethyl-4-[(1-pyridin-3-ylethylamino)methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1,5-dimethyl-4-[(1-pyridin-3-ylethylamino)methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1,5-dimethyl-4-[(1-pyridin-3-ylethylamino)methyl]pyrrole-2-carbonitrile is Cc1c(CNC(C)c2cccnc2)cc(C#N)n1C.
What is the InChIKey of 1,5-dimethyl-4-[(1-pyridin-3-ylethylamino)methyl]pyrrole-2-carbonitrile?
The InChIKey is HYOYZPLDRFCJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11(13-5-4-6-17-9-13)18-10-14-7-15(8-16)19(3)12(14)2/h4-7,9,11,18H,10H2,1-3H3.
What are the key properties of 1,5-dimethyl-4-[(1-pyridin-3-ylethylamino)methyl]pyrrole-2-carbonitrile?
1,5-dimethyl-4-[(1-pyridin-3-ylethylamino)methyl]pyrrole-2-carbonitrile has a molecular weight of 254.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[(1-pyridin-3-ylethylamino)methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 115572961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).