ethyl 3-[(3-amino-6-methyl-2-pyridinyl)amino]-3-phenylpropanoate

C17H21N3O2 — CID 66982540

IUPACethyl 3-[(3-amino-6-methyl-2-pyridinyl)amino]-3-phenylpropanoate
SMILESCCOC(=O)CC(Nc1nc(C)ccc1N)c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-3-22-16(21)11-15(13-7-5-4-6-8-13)20-17-14(18)10-9-12(2)19-17/h4-10,15H,3,11,18H2,1-2H3,(H,19,20)
InChIKeyQZZDUYWSDLEFRV-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.08
Rot. Bonds6

About ethyl 3-[(3-amino-6-methyl-2-pyridinyl)amino]-3-phenylpropanoate

ethyl 3-[(3-amino-6-methyl-2-pyridinyl)amino]-3-phenylpropanoate (PubChem CID 66982540) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl 3-[(3-amino-6-methyl-2-pyridinyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 3-[(3-amino-6-methyl-2-pyridinyl)amino]-3-phenylpropanoate
PubChem CID66982540
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Nameethyl 3-[(3-amino-6-methyl-2-pyridinyl)amino]-3-phenylpropanoate
SMILESCCOC(=O)CC(Nc1nc(C)ccc1N)c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-3-22-16(21)11-15(13-7-5-4-6-8-13)20-17-14(18)10-9-12(2)19-17/h4-10,15H,3,11,18H2,1-2H3,(H,19,20)
InChIKeyQZZDUYWSDLEFRV-UHFFFAOYSA-N
XLogP3.08
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-(1-phenylpropylamino)pyridine-2-carboxamide
CID 114406353
2-[(3-amino-6-methyl-2-pyridinyl)amino]butanoic acid
CID 82057666
ethyl 3-phenyl-3-(1-phenylethylamino)propanoate
CID 76738630
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
ethyl (3R)-3-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-3-phenylpropanoate
CID 16726269
6-methyl-2-N-(2-phenylpropyl)pyridine-2,3-diamine
CID 104591310
2-[(3-amino-6-methyl-2-pyridinyl)amino]propane-1,3-diol
CID 81132463
ethyl 3-(2,4-dimethoxyanilino)-3-phenylpropanoate
CID 101207114
ethyl 2-(1-phenylpropylamino)acetate
CID 60811471
methyl (3S)-3-anilino-3-phenylpropanoate
CID 10777401
2-[(3-amino-6-methyl-2-pyridinyl)amino]-3-methylbutanamide
CID 106343886
ethyl 3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 18323152

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-amino-6-methyl-2-pyridinyl)amino]-3-phenylpropanoate?
The IUPAC name of ethyl 3-[(3-amino-6-methyl-2-pyridinyl)amino]-3-phenylpropanoate (CID 66982540) is ethyl 3-[(3-amino-6-methyl-2-pyridinyl)amino]-3-phenylpropanoate.
What is the SMILES notation for ethyl 3-[(3-amino-6-methyl-2-pyridinyl)amino]-3-phenylpropanoate?
The canonical SMILES for ethyl 3-[(3-amino-6-methyl-2-pyridinyl)amino]-3-phenylpropanoate is CCOC(=O)CC(Nc1nc(C)ccc1N)c1ccccc1.
What is the InChIKey of ethyl 3-[(3-amino-6-methyl-2-pyridinyl)amino]-3-phenylpropanoate?
The InChIKey is QZZDUYWSDLEFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-22-16(21)11-15(13-7-5-4-6-8-13)20-17-14(18)10-9-12(2)19-17/h4-10,15H,3,11,18H2,1-2H3,(H,19,20).
What are the key properties of ethyl 3-[(3-amino-6-methyl-2-pyridinyl)amino]-3-phenylpropanoate?
ethyl 3-[(3-amino-6-methyl-2-pyridinyl)amino]-3-phenylpropanoate has a molecular weight of 299.37 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-amino-6-methyl-2-pyridinyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 66982540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).