methyl (2R)-2-[4-[(4-methyl-2-pyridinyl)amino]phenyl]propanoate

C16H18N2O2 — CID 125466947

IUPACmethyl (2R)-2-[4-[(4-methyl-2-pyridinyl)amino]phenyl]propanoate
SMILESCOC(=O)[C@H](C)c1ccc(Nc2cc(C)ccn2)cc1
InChIInChI=1S/C16H18N2O2/c1-11-8-9-17-15(10-11)18-14-6-4-13(5-7-14)12(2)16(19)20-3/h4-10,12H,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyXPNVHQWZAXAXQX-GFCCVEGCSA-N
MW270.33 g/mol
LogP3.41
Rot. Bonds4

About methyl (2R)-2-[4-[(4-methyl-2-pyridinyl)amino]phenyl]propanoate

methyl (2R)-2-[4-[(4-methyl-2-pyridinyl)amino]phenyl]propanoate (PubChem CID 125466947) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl (2R)-2-[4-[(4-methyl-2-pyridinyl)amino]phenyl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[4-[(4-methyl-2-pyridinyl)amino]phenyl]propanoate
PubChem CID125466947
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namemethyl (2R)-2-[4-[(4-methyl-2-pyridinyl)amino]phenyl]propanoate
SMILESCOC(=O)[C@H](C)c1ccc(Nc2cc(C)ccn2)cc1
InChIInChI=1S/C16H18N2O2/c1-11-8-9-17-15(10-11)18-14-6-4-13(5-7-14)12(2)16(19)20-3/h4-10,12H,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyXPNVHQWZAXAXQX-GFCCVEGCSA-N
XLogP3.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(pyridin-2-ylamino)phenyl]propanoate
CID 13054234
methyl (2R)-2-[4-[(5-bromo-2-pyridinyl)amino]phenyl]propanoate
CID 125466772
methyl (2S)-2-[4-[(5-nitro-2-pyridinyl)amino]phenyl]propanoate
CID 125466945
N-(4-chlorophenyl)-4-methylpyridin-2-amine
CID 53414585
2-methoxy-N-(4-methyl-2-pyridinyl)propanamide
CID 170104902
N-(3,5-dimethylphenyl)-4-methylpyridin-2-amine
CID 53414319
2-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]propanoic acid
CID 13054264
methyl 2-[4-(carbamoylamino)phenyl]propanoate
CID 67303594
2,4-bis[4-[[6-(methylamino)pyrimidin-4-yl]amino]phenyl]pentan-3-one
CID 150888765
methyl (2S)-2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate
CID 95294721
2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
CID 76892276
(2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
CID 61148599

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[4-[(4-methyl-2-pyridinyl)amino]phenyl]propanoate?
The IUPAC name of methyl (2R)-2-[4-[(4-methyl-2-pyridinyl)amino]phenyl]propanoate (CID 125466947) is methyl (2R)-2-[4-[(4-methyl-2-pyridinyl)amino]phenyl]propanoate.
What is the SMILES notation for methyl (2R)-2-[4-[(4-methyl-2-pyridinyl)amino]phenyl]propanoate?
The canonical SMILES for methyl (2R)-2-[4-[(4-methyl-2-pyridinyl)amino]phenyl]propanoate is COC(=O)[C@H](C)c1ccc(Nc2cc(C)ccn2)cc1.
What is the InChIKey of methyl (2R)-2-[4-[(4-methyl-2-pyridinyl)amino]phenyl]propanoate?
The InChIKey is XPNVHQWZAXAXQX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-8-9-17-15(10-11)18-14-6-4-13(5-7-14)12(2)16(19)20-3/h4-10,12H,1-3H3,(H,17,18)/t12-/m1/s1.
What are the key properties of methyl (2R)-2-[4-[(4-methyl-2-pyridinyl)amino]phenyl]propanoate?
methyl (2R)-2-[4-[(4-methyl-2-pyridinyl)amino]phenyl]propanoate has a molecular weight of 270.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[4-[(4-methyl-2-pyridinyl)amino]phenyl]propanoate is sourced from PubChem (CID 125466947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).