(4-cyanophenyl)methyl 5-amino-2-methylpyridine-3-carboxylate

C15H13N3O2 — CID 61323202

IUPAC(4-cyanophenyl)methyl 5-amino-2-methylpyridine-3-carboxylate
SMILESCc1ncc(N)cc1C(=O)OCc1ccc(C#N)cc1
InChIInChI=1S/C15H13N3O2/c1-10-14(6-13(17)8-18-10)15(19)20-9-12-4-2-11(7-16)3-5-12/h2-6,8H,9,17H2,1H3
InChIKeyRMGUXGALZZRHLJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.20
Rot. Bonds3

About (4-cyanophenyl)methyl 5-amino-2-methylpyridine-3-carboxylate

(4-cyanophenyl)methyl 5-amino-2-methylpyridine-3-carboxylate (PubChem CID 61323202) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is (4-cyanophenyl)methyl 5-amino-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name(4-cyanophenyl)methyl 5-amino-2-methylpyridine-3-carboxylate
PubChem CID61323202
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name(4-cyanophenyl)methyl 5-amino-2-methylpyridine-3-carboxylate
SMILESCc1ncc(N)cc1C(=O)OCc1ccc(C#N)cc1
InChIInChI=1S/C15H13N3O2/c1-10-14(6-13(17)8-18-10)15(19)20-9-12-4-2-11(7-16)3-5-12/h2-6,8H,9,17H2,1H3
InChIKeyRMGUXGALZZRHLJ-UHFFFAOYSA-N
XLogP2.20
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

thiophen-3-ylmethyl 5-amino-2-methylpyridine-3-carboxylate
CID 61323017
ethyl 5-cyano-2-methylpyridine-3-carboxylate
CID 14898892
(3-methyl-2-pyridinyl)methyl 5-amino-2-methylpyridine-3-carboxylate
CID 112651177
(4-cyanophenyl)methyl 3-amino-4-methylbenzoate
CID 60665494
(4-cyanophenyl)methyl 2-chloro-5-methylsulfonylbenzoate
CID 2502917
(4-cyanophenyl)methyl 3-methylbenzoate
CID 2563042
2-ethylbutyl 5-amino-2-methylpyridine-3-carboxylate
CID 82930895
(4-cyanophenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 2371734
(4-cyanophenyl)methyl 2-chloro-5-methylsulfanylbenzoate
CID 2377385
(4-cyanophenyl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate
CID 7744557
(4-cyanophenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate
CID 4602082
(4-cyanophenyl)methyl 2,4-dichloro-5-fluorobenzoate
CID 8648674

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl)methyl 5-amino-2-methylpyridine-3-carboxylate?
The IUPAC name of (4-cyanophenyl)methyl 5-amino-2-methylpyridine-3-carboxylate (CID 61323202) is (4-cyanophenyl)methyl 5-amino-2-methylpyridine-3-carboxylate.
What is the SMILES notation for (4-cyanophenyl)methyl 5-amino-2-methylpyridine-3-carboxylate?
The canonical SMILES for (4-cyanophenyl)methyl 5-amino-2-methylpyridine-3-carboxylate is Cc1ncc(N)cc1C(=O)OCc1ccc(C#N)cc1.
What is the InChIKey of (4-cyanophenyl)methyl 5-amino-2-methylpyridine-3-carboxylate?
The InChIKey is RMGUXGALZZRHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-14(6-13(17)8-18-10)15(19)20-9-12-4-2-11(7-16)3-5-12/h2-6,8H,9,17H2,1H3.
What are the key properties of (4-cyanophenyl)methyl 5-amino-2-methylpyridine-3-carboxylate?
(4-cyanophenyl)methyl 5-amino-2-methylpyridine-3-carboxylate has a molecular weight of 267.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl)methyl 5-amino-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 61323202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).