3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine

C22H27N3 — CID 67636513

IUPAC3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine
SMILESCc1ccc(C(=CCN2CCCC2)c2cccc(CC=CN)n2)cc1
InChIInChI=1S/C22H27N3/c1-18-9-11-19(12-10-18)21(13-17-25-15-2-3-16-25)22-8-4-6-20(24-22)7-5-14-23/h4-6,8-14H,2-3,7,15-17,23H2,1H3
InChIKeyGBWMRKVYWBAZTC-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.93
Rot. Bonds6

About 3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine

3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine (PubChem CID 67636513) has the molecular formula C22H27N3 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine.

Molecular Properties

Compound Name3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine
PubChem CID67636513
Molecular FormulaC22H27N3
Molecular Weight333.48 g/mol
Exact Mass333.22
IUPAC Name3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine
SMILESCc1ccc(C(=CCN2CCCC2)c2cccc(CC=CN)n2)cc1
InChIInChI=1S/C22H27N3/c1-18-9-11-19(12-10-18)21(13-17-25-15-2-3-16-25)22-8-4-6-20(24-22)7-5-14-23/h4-6,8-14H,2-3,7,15-17,23H2,1H3
InChIKeyGBWMRKVYWBAZTC-UHFFFAOYSA-N
XLogP3.93
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 54472252
2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine;hydrate;hydrochloride
CID 5284472
(E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-2-enamide;oxalic acid
CID 70380946
N-[(E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-2-enyl]oxan-4-amine
CID 22941958
(E)-6-[6-[(Z)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]hex-5-enoic acid
CID 13191767
2-[(Z)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine;oxalic acid
CID 18913830
N-(3-methylbutyl)-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-enyl]benzamide
CID 67636515
cyclopentyl (E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-2-enoate
CID 10278991
2-bromo-6-[(Z)-1-(4-cyclopropylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine
CID 71551313
3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]propyl 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoate
CID 70346175
ethyl (E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-2-enoate;3-hydroperoxyperoxyprop-1-yne
CID 160818434
hydron;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine;dichloride
CID 67108252

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine?
The IUPAC name of 3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine (CID 67636513) is 3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine.
What is the SMILES notation for 3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine?
The canonical SMILES for 3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine is Cc1ccc(C(=CCN2CCCC2)c2cccc(CC=CN)n2)cc1.
What is the InChIKey of 3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine?
The InChIKey is GBWMRKVYWBAZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3/c1-18-9-11-19(12-10-18)21(13-17-25-15-2-3-16-25)22-8-4-6-20(24-22)7-5-14-23/h4-6,8-14H,2-3,7,15-17,23H2,1H3.
What are the key properties of 3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine?
3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine has a molecular weight of 333.48 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-1-en-1-amine is sourced from PubChem (CID 67636513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).