methyl 2-amino-5-(4-cyanophenyl)pyridine-4-carboxylate

C14H11N3O2 — CID 172649602

IUPACmethyl 2-amino-5-(4-cyanophenyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1-c1ccc(C#N)cc1
InChIInChI=1S/C14H11N3O2/c1-19-14(18)11-6-13(16)17-8-12(11)10-4-2-9(7-15)3-5-10/h2-6,8H,1H3,(H2,16,17)
InChIKeyYDIAHTPCZOTZQI-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.99
Rot. Bonds2

About methyl 2-amino-5-(4-cyanophenyl)pyridine-4-carboxylate

methyl 2-amino-5-(4-cyanophenyl)pyridine-4-carboxylate (PubChem CID 172649602) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 2-amino-5-(4-cyanophenyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(4-cyanophenyl)pyridine-4-carboxylate
PubChem CID172649602
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Namemethyl 2-amino-5-(4-cyanophenyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1-c1ccc(C#N)cc1
InChIInChI=1S/C14H11N3O2/c1-19-14(18)11-6-13(16)17-8-12(11)10-4-2-9(7-15)3-5-10/h2-6,8H,1H3,(H2,16,17)
InChIKeyYDIAHTPCZOTZQI-UHFFFAOYSA-N
XLogP1.99
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-(4-cyanophenyl)pyridine-4-carboxylic acid
CID 53222623
methyl 2-amino-5-(4-methylsulfonylphenyl)pyridine-4-carboxylate
CID 172649603
methyl 5-(4-cyanophenyl)-4-fluoro-2-methoxybenzoate
CID 163395746
methyl 2-amino-5-(4-cyanophenyl)-4-(trifluoromethyl)benzoate
CID 11965699
methyl 2-amino-5-(2,4-difluorophenyl)pyridine-4-carboxylate
CID 172649615
methyl 2-amino-5-(2-ethylphenyl)pyridine-4-carboxylate
CID 172649580
methyl 3-amino-5-(4-cyanophenyl)thiophene-2-carboxylate
CID 11994774
methyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate
CID 172649588
methyl 4-[2-(4-cyanophenyl)ethynyl]-2-methoxybenzoate
CID 171396466
methyl 2-chloro-5-cyanobenzoate
CID 16659388
methyl 5-cyano-2-hydroxybenzoate
CID 10583428
ethane;methyl 2-(2-chloro-6-methyl-4-pyridinyl)-5-cyanobenzoate
CID 166556510

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(4-cyanophenyl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-amino-5-(4-cyanophenyl)pyridine-4-carboxylate (CID 172649602) is methyl 2-amino-5-(4-cyanophenyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(4-cyanophenyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-(4-cyanophenyl)pyridine-4-carboxylate is COC(=O)c1cc(N)ncc1-c1ccc(C#N)cc1.
What is the InChIKey of methyl 2-amino-5-(4-cyanophenyl)pyridine-4-carboxylate?
The InChIKey is YDIAHTPCZOTZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-19-14(18)11-6-13(16)17-8-12(11)10-4-2-9(7-15)3-5-10/h2-6,8H,1H3,(H2,16,17).
What are the key properties of methyl 2-amino-5-(4-cyanophenyl)pyridine-4-carboxylate?
methyl 2-amino-5-(4-cyanophenyl)pyridine-4-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(4-cyanophenyl)pyridine-4-carboxylate is sourced from PubChem (CID 172649602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).