methyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate

C20H18N2O3 — CID 172649588

IUPACmethyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1-c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C20H18N2O3/c1-24-20(23)17-11-19(21)22-12-18(17)15-8-5-9-16(10-15)25-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H2,21,22)
InChIKeyAFBXQDULGUSRDI-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.70
Rot. Bonds5

About methyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate

methyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate (PubChem CID 172649588) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is methyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate
PubChem CID172649588
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Namemethyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1-c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C20H18N2O3/c1-24-20(23)17-11-19(21)22-12-18(17)15-8-5-9-16(10-15)25-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H2,21,22)
InChIKeyAFBXQDULGUSRDI-UHFFFAOYSA-N
XLogP3.70
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid
CID 171390969
methyl 2-phenyl-4-(pyridin-3-ylmethoxy)benzoate
CID 10805572
4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid
CID 53229665
methyl 2-amino-5-(2-ethylphenyl)pyridine-4-carboxylate
CID 172649580
2-methyl-3-(3-phenylmethoxyphenyl)benzoic acid
CID 53228681
methyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 169498475
4-methyl-5-(3-phenylmethoxyphenyl)pyridin-3-amine
CID 178203209
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
methyl 3-amino-6-bromo-2-(4-phenylmethoxyphenyl)pyridine-4-carboxylate
CID 86663009
methyl 2,5-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
CID 134634030
5-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 164893342
methyl 2-amino-4-(phenoxymethyl)benzoate;hydrochloride
CID 68962145

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate (CID 172649588) is methyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate is COC(=O)c1cc(N)ncc1-c1cccc(OCc2ccccc2)c1.
What is the InChIKey of methyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate?
The InChIKey is AFBXQDULGUSRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-24-20(23)17-11-19(21)22-12-18(17)15-8-5-9-16(10-15)25-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H2,21,22).
What are the key properties of methyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate?
methyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate has a molecular weight of 334.38 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate is sourced from PubChem (CID 172649588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).