methyl 3-(propylamino)-3-pyridin-3-ylpropanoate

C12H18N2O2 — CID 65235647

IUPACmethyl 3-(propylamino)-3-pyridin-3-ylpropanoate
SMILESCCCNC(CC(=O)OC)c1cccnc1
InChIInChI=1S/C12H18N2O2/c1-3-6-14-11(8-12(15)16-2)10-5-4-7-13-9-10/h4-5,7,9,11,14H,3,6,8H2,1-2H3
InChIKeyVGCJLHUXFKDGQI-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.69
Rot. Bonds6

About methyl 3-(propylamino)-3-pyridin-3-ylpropanoate

methyl 3-(propylamino)-3-pyridin-3-ylpropanoate (PubChem CID 65235647) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is methyl 3-(propylamino)-3-pyridin-3-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-(propylamino)-3-pyridin-3-ylpropanoate
PubChem CID65235647
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Namemethyl 3-(propylamino)-3-pyridin-3-ylpropanoate
SMILESCCCNC(CC(=O)OC)c1cccnc1
InChIInChI=1S/C12H18N2O2/c1-3-6-14-11(8-12(15)16-2)10-5-4-7-13-9-10/h4-5,7,9,11,14H,3,6,8H2,1-2H3
InChIKeyVGCJLHUXFKDGQI-UHFFFAOYSA-N
XLogP1.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate
CID 65235826
methyl 3-(propan-2-ylamino)-3-pyridin-3-ylpropanoate
CID 140629631
methyl 3-(3,4-dimethylphenyl)-3-(propylamino)propanoate
CID 65235819
methyl 3-(3-cyclopropylphenyl)-3-(propylamino)propanoate
CID 79976702
methyl 4-amino-3-pyridin-3-ylhexanoate
CID 66097725
methyl 3-(3,4-difluorophenyl)-3-(propylamino)propanoate
CID 65235912
N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 61064118
methyl 3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-3-ylpropanoate
CID 15544536
methyl 3-(3-fluoro-4-methylphenyl)-3-(propylamino)propanoate
CID 65236016
methyl 3-(1-pyridin-3-ylethylamino)butanoate
CID 43537085
methyl 3-(propylamino)-3-[4-(trifluoromethyl)phenyl]propanoate
CID 65235964
methyl 3-(2-methylquinolin-6-yl)-3-(propylamino)propanoate
CID 105379694

Frequently Asked Questions

What is the IUPAC name of methyl 3-(propylamino)-3-pyridin-3-ylpropanoate?
The IUPAC name of methyl 3-(propylamino)-3-pyridin-3-ylpropanoate (CID 65235647) is methyl 3-(propylamino)-3-pyridin-3-ylpropanoate.
What is the SMILES notation for methyl 3-(propylamino)-3-pyridin-3-ylpropanoate?
The canonical SMILES for methyl 3-(propylamino)-3-pyridin-3-ylpropanoate is CCCNC(CC(=O)OC)c1cccnc1.
What is the InChIKey of methyl 3-(propylamino)-3-pyridin-3-ylpropanoate?
The InChIKey is VGCJLHUXFKDGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-6-14-11(8-12(15)16-2)10-5-4-7-13-9-10/h4-5,7,9,11,14H,3,6,8H2,1-2H3.
What are the key properties of methyl 3-(propylamino)-3-pyridin-3-ylpropanoate?
methyl 3-(propylamino)-3-pyridin-3-ylpropanoate has a molecular weight of 222.29 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(propylamino)-3-pyridin-3-ylpropanoate is sourced from PubChem (CID 65235647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).