5-(1-butylpyrrolidin-2-yl)-N-phenylpyridin-2-amine

C19H25N3 — CID 102540517

IUPAC5-(1-butylpyrrolidin-2-yl)-N-phenylpyridin-2-amine
SMILESCCCCN1CCCC1c1ccc(Nc2ccccc2)nc1
InChIInChI=1S/C19H25N3/c1-2-3-13-22-14-7-10-18(22)16-11-12-19(20-15-16)21-17-8-5-4-6-9-17/h4-6,8-9,11-12,15,18H,2-3,7,10,13-14H2,1H3,(H,20,21)
InChIKeyZZRYYMONXSKSAG-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.76
Rot. Bonds6

About 5-(1-butylpyrrolidin-2-yl)-N-phenylpyridin-2-amine

5-(1-butylpyrrolidin-2-yl)-N-phenylpyridin-2-amine (PubChem CID 102540517) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 5-(1-butylpyrrolidin-2-yl)-N-phenylpyridin-2-amine.

Molecular Properties

Compound Name5-(1-butylpyrrolidin-2-yl)-N-phenylpyridin-2-amine
PubChem CID102540517
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name5-(1-butylpyrrolidin-2-yl)-N-phenylpyridin-2-amine
SMILESCCCCN1CCCC1c1ccc(Nc2ccccc2)nc1
InChIInChI=1S/C19H25N3/c1-2-3-13-22-14-7-10-18(22)16-11-12-19(20-15-16)21-17-8-5-4-6-9-17/h4-6,8-9,11-12,15,18H,2-3,7,10,13-14H2,1H3,(H,20,21)
InChIKeyZZRYYMONXSKSAG-UHFFFAOYSA-N
XLogP4.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-5-(1-propylpiperidin-2-yl)pyridin-2-amine
CID 102540524
5-(1-ethylpyrrolidin-2-yl)-N-phenylpyridin-2-amine
CID 102540510
3-(1-butylpiperidin-2-yl)-N-phenylpyridin-2-amine
CID 102540559
3-[(2R)-1-butylpyrrolidin-2-yl]quinoline
CID 124500186
3-(1-butylpyrrolidin-2-yl)quinoline
CID 102543349
1-butyl-2-phenylpiperidine
CID 10036306
5-(1-butylpyrrolidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine
CID 102541889
N-[(2R)-butan-2-yl]-5-[(2R)-1-propylpiperidin-2-yl]pyridin-2-amine
CID 124552654
N-butyl-5-(1-methylpyrrolidin-2-yl)pyridin-2-amine
CID 102540283
N-butan-2-yl-5-(1-ethylpyrrolidin-2-yl)pyridin-2-amine
CID 102540222
5-(1-butylpyrrolidin-2-yl)-N,3-dimethylpyridin-2-amine
CID 102543045
N-cyclobutyl-5-(1-ethylpiperidin-2-yl)pyridin-2-amine
CID 102540395

Frequently Asked Questions

What is the IUPAC name of 5-(1-butylpyrrolidin-2-yl)-N-phenylpyridin-2-amine?
The IUPAC name of 5-(1-butylpyrrolidin-2-yl)-N-phenylpyridin-2-amine (CID 102540517) is 5-(1-butylpyrrolidin-2-yl)-N-phenylpyridin-2-amine.
What is the SMILES notation for 5-(1-butylpyrrolidin-2-yl)-N-phenylpyridin-2-amine?
The canonical SMILES for 5-(1-butylpyrrolidin-2-yl)-N-phenylpyridin-2-amine is CCCCN1CCCC1c1ccc(Nc2ccccc2)nc1.
What is the InChIKey of 5-(1-butylpyrrolidin-2-yl)-N-phenylpyridin-2-amine?
The InChIKey is ZZRYYMONXSKSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-2-3-13-22-14-7-10-18(22)16-11-12-19(20-15-16)21-17-8-5-4-6-9-17/h4-6,8-9,11-12,15,18H,2-3,7,10,13-14H2,1H3,(H,20,21).
What are the key properties of 5-(1-butylpyrrolidin-2-yl)-N-phenylpyridin-2-amine?
5-(1-butylpyrrolidin-2-yl)-N-phenylpyridin-2-amine has a molecular weight of 295.43 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butylpyrrolidin-2-yl)-N-phenylpyridin-2-amine is sourced from PubChem (CID 102540517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).