2,4-bis[3-(diethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile

C23H38N6 — CID 166243508

IUPAC2,4-bis[3-(diethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCCN(CC)C1CCN(c2cc(C)nc(N3CCC(N(CC)CC)C3)c2C#N)C1
InChIInChI=1S/C23H38N6/c1-6-26(7-2)19-10-12-28(16-19)22-14-18(5)25-23(21(22)15-24)29-13-11-20(17-29)27(8-3)9-4/h14,19-20H,6-13,16-17H2,1-5H3
InChIKeySIKIMVNDFLZDJI-UHFFFAOYSA-N
MW398.60 g/mol
LogP3.10
Rot. Bonds8

About 2,4-bis[3-(diethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile

2,4-bis[3-(diethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile (PubChem CID 166243508) has the molecular formula C23H38N6 and a molecular weight of 398.60 g/mol. Its IUPAC name is 2,4-bis[3-(diethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4-bis[3-(diethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile
PubChem CID166243508
Molecular FormulaC23H38N6
Molecular Weight398.60 g/mol
Exact Mass398.32
IUPAC Name2,4-bis[3-(diethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCCN(CC)C1CCN(c2cc(C)nc(N3CCC(N(CC)CC)C3)c2C#N)C1
InChIInChI=1S/C23H38N6/c1-6-26(7-2)19-10-12-28(16-19)22-14-18(5)25-23(21(22)15-24)29-13-11-20(17-29)27(8-3)9-4/h14,19-20H,6-13,16-17H2,1-5H3
InChIKeySIKIMVNDFLZDJI-UHFFFAOYSA-N
XLogP3.10
TPSA49.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.60
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis[3-(diethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2,4-bis[3-(diethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile (CID 166243508) is 2,4-bis[3-(diethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2,4-bis[3-(diethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2,4-bis[3-(diethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile is CCN(CC)C1CCN(c2cc(C)nc(N3CCC(N(CC)CC)C3)c2C#N)C1.
What is the InChIKey of 2,4-bis[3-(diethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile?
The InChIKey is SIKIMVNDFLZDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N6/c1-6-26(7-2)19-10-12-28(16-19)22-14-18(5)25-23(21(22)15-24)29-13-11-20(17-29)27(8-3)9-4/h14,19-20H,6-13,16-17H2,1-5H3.
What are the key properties of 2,4-bis[3-(diethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile?
2,4-bis[3-(diethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile has a molecular weight of 398.60 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[3-(diethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 166243508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).