6-[4-[2-(3-phenylpyrrolidin-1-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile

C23H29N5 — CID 72920107

IUPAC6-[4-[2-(3-phenylpyrrolidin-1-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(NCCN3CCC(c4ccccc4)C3)CC2)nc1
InChIInChI=1S/C23H29N5/c24-16-19-6-7-23(26-17-19)28-13-9-22(10-14-28)25-11-15-27-12-8-21(18-27)20-4-2-1-3-5-20/h1-7,17,21-22,25H,8-15,18H2
InChIKeyDEYGTXHHUUQKBX-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.00
Rot. Bonds6

About 6-[4-[2-(3-phenylpyrrolidin-1-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile

6-[4-[2-(3-phenylpyrrolidin-1-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 72920107) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is 6-[4-[2-(3-phenylpyrrolidin-1-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[2-(3-phenylpyrrolidin-1-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID72920107
Molecular FormulaC23H29N5
Molecular Weight375.52 g/mol
Exact Mass375.24
IUPAC Name6-[4-[2-(3-phenylpyrrolidin-1-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(NCCN3CCC(c4ccccc4)C3)CC2)nc1
InChIInChI=1S/C23H29N5/c24-16-19-6-7-23(26-17-19)28-13-9-22(10-14-28)25-11-15-27-12-8-21(18-27)20-4-2-1-3-5-20/h1-7,17,21-22,25H,8-15,18H2
InChIKeyDEYGTXHHUUQKBX-UHFFFAOYSA-N
XLogP3.00
TPSA55.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[(2-chlorophenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 119110752
6-[4-[(2-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 119110757
6-[4-[2-(1-phenylpyrazol-4-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 72920155
6-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 72903650
6-[4-[(3-methylimidazol-4-yl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 119110743
6-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 56908017
6-[(3R)-3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 95722474
6-[4-[(4-fluoro-3-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 119122036
6-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 56820268
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 133286840
1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 16597727

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(3-phenylpyrrolidin-1-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[2-(3-phenylpyrrolidin-1-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile (CID 72920107) is 6-[4-[2-(3-phenylpyrrolidin-1-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[2-(3-phenylpyrrolidin-1-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[2-(3-phenylpyrrolidin-1-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC(NCCN3CCC(c4ccccc4)C3)CC2)nc1.
What is the InChIKey of 6-[4-[2-(3-phenylpyrrolidin-1-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is DEYGTXHHUUQKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5/c24-16-19-6-7-23(26-17-19)28-13-9-22(10-14-28)25-11-15-27-12-8-21(18-27)20-4-2-1-3-5-20/h1-7,17,21-22,25H,8-15,18H2.
What are the key properties of 6-[4-[2-(3-phenylpyrrolidin-1-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-[2-(3-phenylpyrrolidin-1-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 375.52 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(3-phenylpyrrolidin-1-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 72920107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).