2,6-bis[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile

C22H36N6 — CID 86806560

IUPAC2,6-bis[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCCN(C)CC1CCN(c2ccc(C#N)c(N3CCC(CN(C)CC)C3)n2)C1
InChIInChI=1S/C22H36N6/c1-5-25(3)14-18-9-11-27(16-18)21-8-7-20(13-23)22(24-21)28-12-10-19(17-28)15-26(4)6-2/h7-8,18-19H,5-6,9-12,14-17H2,1-4H3
InChIKeyDBJNYNFAKKSZLL-UHFFFAOYSA-N
MW384.57 g/mol
LogP2.51
Rot. Bonds8

About 2,6-bis[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile

2,6-bis[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 86806560) has the molecular formula C22H36N6 and a molecular weight of 384.57 g/mol. Its IUPAC name is 2,6-bis[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-bis[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID86806560
Molecular FormulaC22H36N6
Molecular Weight384.57 g/mol
Exact Mass384.30
IUPAC Name2,6-bis[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCCN(C)CC1CCN(c2ccc(C#N)c(N3CCC(CN(C)CC)C3)n2)C1
InChIInChI=1S/C22H36N6/c1-5-25(3)14-18-9-11-27(16-18)21-8-7-20(13-23)22(24-21)28-12-10-19(17-28)15-26(4)6-2/h7-8,18-19H,5-6,9-12,14-17H2,1-4H3
InChIKeyDBJNYNFAKKSZLL-UHFFFAOYSA-N
XLogP2.51
TPSA49.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2,6-bis[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile (CID 86806560) is 2,6-bis[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-bis[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-bis[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile is CCN(C)CC1CCN(c2ccc(C#N)c(N3CCC(CN(C)CC)C3)n2)C1.
What is the InChIKey of 2,6-bis[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is DBJNYNFAKKSZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N6/c1-5-25(3)14-18-9-11-27(16-18)21-8-7-20(13-23)22(24-21)28-12-10-19(17-28)15-26(4)6-2/h7-8,18-19H,5-6,9-12,14-17H2,1-4H3.
What are the key properties of 2,6-bis[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
2,6-bis[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 384.57 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 86806560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).