1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)amino]methyl]pyrrole-2-carbonitrile

C14H16N4 — CID 115742362

IUPAC1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)amino]methyl]pyrrole-2-carbonitrile
SMILESCc1ccc(NCc2cc(C#N)n(C)c2C)cn1
InChIInChI=1S/C14H16N4/c1-10-4-5-13(9-16-10)17-8-12-6-14(7-15)18(3)11(12)2/h4-6,9,17H,8H2,1-3H3
InChIKeyGXYMSTLASUAQNX-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.52
Rot. Bonds3

About 1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)amino]methyl]pyrrole-2-carbonitrile

1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)amino]methyl]pyrrole-2-carbonitrile (PubChem CID 115742362) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)amino]methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)amino]methyl]pyrrole-2-carbonitrile
PubChem CID115742362
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)amino]methyl]pyrrole-2-carbonitrile
SMILESCc1ccc(NCc2cc(C#N)n(C)c2C)cn1
InChIInChI=1S/C14H16N4/c1-10-4-5-13(9-16-10)17-8-12-6-14(7-15)18(3)11(12)2/h4-6,9,17H,8H2,1-3H3
InChIKeyGXYMSTLASUAQNX-UHFFFAOYSA-N
XLogP2.52
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(6-chloro-3-pyridinyl)amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 113353601
1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrrole-2-carbonitrile
CID 115582683
1,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrrole-2-carbonitrile
CID 115584985
4-[(1H-indazol-5-ylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 75389926
4-[(3-chloro-4-hydroxyanilino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 107678296
4-[(3-bromoanilino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115584961
4-[[(2-bromo-3-pyridinyl)amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 114051573
4-[(4-ethoxy-3-fluoroanilino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115587245
1,5-dimethyl-4-[(thiadiazol-5-ylamino)methyl]pyrrole-2-carbonitrile
CID 107234340
4-[[(5-ethyl-1,3-thiazol-2-yl)amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 75505661
4-[(2-ethoxy-4-fluoroanilino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115777074
1,5-dimethyl-4-[(2,4,6-trimethylanilino)methyl]pyrrole-2-carbonitrile
CID 115977096

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)amino]methyl]pyrrole-2-carbonitrile?
The IUPAC name of 1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)amino]methyl]pyrrole-2-carbonitrile (CID 115742362) is 1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)amino]methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)amino]methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)amino]methyl]pyrrole-2-carbonitrile is Cc1ccc(NCc2cc(C#N)n(C)c2C)cn1.
What is the InChIKey of 1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)amino]methyl]pyrrole-2-carbonitrile?
The InChIKey is GXYMSTLASUAQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-10-4-5-13(9-16-10)17-8-12-6-14(7-15)18(3)11(12)2/h4-6,9,17H,8H2,1-3H3.
What are the key properties of 1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)amino]methyl]pyrrole-2-carbonitrile?
1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)amino]methyl]pyrrole-2-carbonitrile has a molecular weight of 240.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)amino]methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 115742362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).