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

C15H18N4 — CID 115582683

IUPAC1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrrole-2-carbonitrile
SMILESCc1ccc(CNCc2cc(C#N)n(C)c2C)cn1
InChIInChI=1S/C15H18N4/c1-11-4-5-13(9-18-11)8-17-10-14-6-15(7-16)19(3)12(14)2/h4-6,9,17H,8,10H2,1-3H3
InChIKeyGOQJPOFORKUGDV-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.20
Rot. Bonds4

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

1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrrole-2-carbonitrile (PubChem CID 115582683) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrrole-2-carbonitrile
PubChem CID115582683
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrrole-2-carbonitrile
SMILESCc1ccc(CNCc2cc(C#N)n(C)c2C)cn1
InChIInChI=1S/C15H18N4/c1-11-4-5-13(9-18-11)8-17-10-14-6-15(7-16)19(3)12(14)2/h4-6,9,17H,8,10H2,1-3H3
InChIKeyGOQJPOFORKUGDV-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
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)methylamino]methyl]pyrrole-2-carbonitrile?
The IUPAC name of 1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrrole-2-carbonitrile (CID 115582683) is 1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrrole-2-carbonitrile is Cc1ccc(CNCc2cc(C#N)n(C)c2C)cn1.
What is the InChIKey of 1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrrole-2-carbonitrile?
The InChIKey is GOQJPOFORKUGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11-4-5-13(9-18-11)8-17-10-14-6-15(7-16)19(3)12(14)2/h4-6,9,17H,8,10H2,1-3H3.
What are the key properties of 1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrrole-2-carbonitrile?
1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrrole-2-carbonitrile has a molecular weight of 254.34 g/mol, XLogP of 2.20, 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-[[(6-methyl-3-pyridinyl)methylamino]methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 115582683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).