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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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).