4-[[[cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile

C18H22N4 — CID 131899290

IUPAC4-[[[cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
SMILESCc1c(CN(C)C(c2ccccn2)C2CC2)cc(C#N)n1C
InChIInChI=1S/C18H22N4/c1-13-15(10-16(11-19)22(13)3)12-21(2)18(14-7-8-14)17-6-4-5-9-20-17/h4-6,9-10,14,18H,7-8,12H2,1-3H3
InChIKeyVNROOWRPEIRYBZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.18
Rot. Bonds5

About 4-[[[cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile

4-[[[cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile (PubChem CID 131899290) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-[[[cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-[[[cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
PubChem CID131899290
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name4-[[[cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
SMILESCc1c(CN(C)C(c2ccccn2)C2CC2)cc(C#N)n1C
InChIInChI=1S/C18H22N4/c1-13-15(10-16(11-19)22(13)3)12-21(2)18(14-7-8-14)17-6-4-5-9-20-17/h4-6,9-10,14,18H,7-8,12H2,1-3H3
InChIKeyVNROOWRPEIRYBZ-UHFFFAOYSA-N
XLogP3.18
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The IUPAC name of 4-[[[cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile (CID 131899290) is 4-[[[cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-[[[cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The canonical SMILES for 4-[[[cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile is Cc1c(CN(C)C(c2ccccn2)C2CC2)cc(C#N)n1C.
What is the InChIKey of 4-[[[cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The InChIKey is VNROOWRPEIRYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-13-15(10-16(11-19)22(13)3)12-21(2)18(14-7-8-14)17-6-4-5-9-20-17/h4-6,9-10,14,18H,7-8,12H2,1-3H3.
What are the key properties of 4-[[[cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile?
4-[[[cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile has a molecular weight of 294.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile is sourced from PubChem (CID 131899290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).