ethane;4-[5-(1-ethylpiperidin-4-yl)-1-methyl-2-phenylpyrrol-3-yl]pyridine

C25H33N3 — CID 91090429

IUPACethane;4-[5-(1-ethylpiperidin-4-yl)-1-methyl-2-phenylpyrrol-3-yl]pyridine
SMILESCC.CCN1CCC(c2cc(-c3ccncc3)c(-c3ccccc3)n2C)CC1
InChIInChI=1S/C23H27N3.C2H6/c1-3-26-15-11-19(12-16-26)22-17-21(18-9-13-24-14-10-18)23(25(22)2)20-7-5-4-6-8-20;1-2/h4-10,13-14,17,19H,3,11-12,15-16H2,1-2H3;1-2H3
InChIKeyULRKEQPJDLMFQW-UHFFFAOYSA-N
MW375.56 g/mol
LogP5.98
Rot. Bonds4

About ethane;4-[5-(1-ethylpiperidin-4-yl)-1-methyl-2-phenylpyrrol-3-yl]pyridine

ethane;4-[5-(1-ethylpiperidin-4-yl)-1-methyl-2-phenylpyrrol-3-yl]pyridine (PubChem CID 91090429) has the molecular formula C25H33N3 and a molecular weight of 375.56 g/mol. Its IUPAC name is ethane;4-[5-(1-ethylpiperidin-4-yl)-1-methyl-2-phenylpyrrol-3-yl]pyridine.

Molecular Properties

Compound Nameethane;4-[5-(1-ethylpiperidin-4-yl)-1-methyl-2-phenylpyrrol-3-yl]pyridine
PubChem CID91090429
Molecular FormulaC25H33N3
Molecular Weight375.56 g/mol
Exact Mass375.27
IUPAC Nameethane;4-[5-(1-ethylpiperidin-4-yl)-1-methyl-2-phenylpyrrol-3-yl]pyridine
SMILESCC.CCN1CCC(c2cc(-c3ccncc3)c(-c3ccccc3)n2C)CC1
InChIInChI=1S/C23H27N3.C2H6/c1-3-26-15-11-19(12-16-26)22-17-21(18-9-13-24-14-10-18)23(25(22)2)20-7-5-4-6-8-20;1-2/h4-10,13-14,17,19H,3,11-12,15-16H2,1-2H3;1-2H3
InChIKeyULRKEQPJDLMFQW-UHFFFAOYSA-N
XLogP5.98
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.56
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-methyl-5-(1-methylpiperidin-4-yl)-2-phenylpyrrol-3-yl]pyridine
CID 20687157
1-[4-(1-methyl-5-phenyl-4-pyridin-4-ylpyrrol-2-yl)piperidin-1-yl]ethanone
CID 20687144
4-[2-(1-ethylpiperidin-4-yl)-4-phenyl-1H-imidazol-5-yl]pyridine
CID 70998364
1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine
CID 70765763
3-[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]-1-methyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-2-one
CID 58619028
4-(1-benzylpyrrolidin-3-yl)pyridine
CID 11085844
4-(3-benzyl-1-ethylpyrazol-5-yl)-1-ethylpiperidine
CID 142020526
(1-ethylpiperidin-4-yl)-phenyl-pyridin-4-ylmethanol
CID 21135924
N,N-dimethyl-2-(4-phenyl-5-pyridin-4-ylpyrazol-1-yl)ethanamine;ethane
CID 91106289
ethane;3-(1-ethylpiperidin-4-yl)-1H-isoindole
CID 123203365
5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849667
4-(1-benzofuran-2-yl)-1-ethylpiperidine
CID 23312291

Frequently Asked Questions

What is the IUPAC name of ethane;4-[5-(1-ethylpiperidin-4-yl)-1-methyl-2-phenylpyrrol-3-yl]pyridine?
The IUPAC name of ethane;4-[5-(1-ethylpiperidin-4-yl)-1-methyl-2-phenylpyrrol-3-yl]pyridine (CID 91090429) is ethane;4-[5-(1-ethylpiperidin-4-yl)-1-methyl-2-phenylpyrrol-3-yl]pyridine.
What is the SMILES notation for ethane;4-[5-(1-ethylpiperidin-4-yl)-1-methyl-2-phenylpyrrol-3-yl]pyridine?
The canonical SMILES for ethane;4-[5-(1-ethylpiperidin-4-yl)-1-methyl-2-phenylpyrrol-3-yl]pyridine is CC.CCN1CCC(c2cc(-c3ccncc3)c(-c3ccccc3)n2C)CC1.
What is the InChIKey of ethane;4-[5-(1-ethylpiperidin-4-yl)-1-methyl-2-phenylpyrrol-3-yl]pyridine?
The InChIKey is ULRKEQPJDLMFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3.C2H6/c1-3-26-15-11-19(12-16-26)22-17-21(18-9-13-24-14-10-18)23(25(22)2)20-7-5-4-6-8-20;1-2/h4-10,13-14,17,19H,3,11-12,15-16H2,1-2H3;1-2H3.
What are the key properties of ethane;4-[5-(1-ethylpiperidin-4-yl)-1-methyl-2-phenylpyrrol-3-yl]pyridine?
ethane;4-[5-(1-ethylpiperidin-4-yl)-1-methyl-2-phenylpyrrol-3-yl]pyridine has a molecular weight of 375.56 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[5-(1-ethylpiperidin-4-yl)-1-methyl-2-phenylpyrrol-3-yl]pyridine is sourced from PubChem (CID 91090429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).