5-[cyclopropyl(cyclopropylidene)methyl]-2-[2-(2-methylbutyl)pyrrolidin-1-yl]pyridine

C21H30N2 — CID 70906639

IUPAC5-[cyclopropyl(cyclopropylidene)methyl]-2-[2-(2-methylbutyl)pyrrolidin-1-yl]pyridine
SMILESCCC(C)CC1CCCN1c1ccc(C(=C2CC2)C2CC2)cn1
InChIInChI=1S/C21H30N2/c1-3-15(2)13-19-5-4-12-23(19)20-11-10-18(14-22-20)21(16-6-7-16)17-8-9-17/h10-11,14-16,19H,3-9,12-13H2,1-2H3
InChIKeyXZVSSGAQFHMXDX-UHFFFAOYSA-N
MW310.48 g/mol
LogP5.44
Rot. Bonds6

About 5-[cyclopropyl(cyclopropylidene)methyl]-2-[2-(2-methylbutyl)pyrrolidin-1-yl]pyridine

5-[cyclopropyl(cyclopropylidene)methyl]-2-[2-(2-methylbutyl)pyrrolidin-1-yl]pyridine (PubChem CID 70906639) has the molecular formula C21H30N2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 5-[cyclopropyl(cyclopropylidene)methyl]-2-[2-(2-methylbutyl)pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name5-[cyclopropyl(cyclopropylidene)methyl]-2-[2-(2-methylbutyl)pyrrolidin-1-yl]pyridine
PubChem CID70906639
Molecular FormulaC21H30N2
Molecular Weight310.48 g/mol
Exact Mass310.24
IUPAC Name5-[cyclopropyl(cyclopropylidene)methyl]-2-[2-(2-methylbutyl)pyrrolidin-1-yl]pyridine
SMILESCCC(C)CC1CCCN1c1ccc(C(=C2CC2)C2CC2)cn1
InChIInChI=1S/C21H30N2/c1-3-15(2)13-19-5-4-12-23(19)20-11-10-18(14-22-20)21(16-6-7-16)17-8-9-17/h10-11,14-16,19H,3-9,12-13H2,1-2H3
InChIKeyXZVSSGAQFHMXDX-UHFFFAOYSA-N
XLogP5.44
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 60974707
1-[1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-2-amine
CID 112748048
ethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate
CID 103613521
N-ethyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 133377027
6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129495333
6-(2-ethylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109161624
1-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine
CID 80633955
2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 61370312
2-[2-[2-[4-(1-fluoropropyl)piperidin-1-yl]propyl]pyrrolidin-1-yl]-5-propan-2-ylpyridine
CID 174258455
6-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 116637062
6-(2-ethylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153328
N-[(4-chlorophenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109156994

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(cyclopropylidene)methyl]-2-[2-(2-methylbutyl)pyrrolidin-1-yl]pyridine?
The IUPAC name of 5-[cyclopropyl(cyclopropylidene)methyl]-2-[2-(2-methylbutyl)pyrrolidin-1-yl]pyridine (CID 70906639) is 5-[cyclopropyl(cyclopropylidene)methyl]-2-[2-(2-methylbutyl)pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 5-[cyclopropyl(cyclopropylidene)methyl]-2-[2-(2-methylbutyl)pyrrolidin-1-yl]pyridine?
The canonical SMILES for 5-[cyclopropyl(cyclopropylidene)methyl]-2-[2-(2-methylbutyl)pyrrolidin-1-yl]pyridine is CCC(C)CC1CCCN1c1ccc(C(=C2CC2)C2CC2)cn1.
What is the InChIKey of 5-[cyclopropyl(cyclopropylidene)methyl]-2-[2-(2-methylbutyl)pyrrolidin-1-yl]pyridine?
The InChIKey is XZVSSGAQFHMXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c1-3-15(2)13-19-5-4-12-23(19)20-11-10-18(14-22-20)21(16-6-7-16)17-8-9-17/h10-11,14-16,19H,3-9,12-13H2,1-2H3.
What are the key properties of 5-[cyclopropyl(cyclopropylidene)methyl]-2-[2-(2-methylbutyl)pyrrolidin-1-yl]pyridine?
5-[cyclopropyl(cyclopropylidene)methyl]-2-[2-(2-methylbutyl)pyrrolidin-1-yl]pyridine has a molecular weight of 310.48 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(cyclopropylidene)methyl]-2-[2-(2-methylbutyl)pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 70906639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).