(3,4-dimethoxy-2-pyridinyl)methyl 5-aminopyridine-2-carboxylate

C14H15N3O4 — CID 103173752

IUPAC(3,4-dimethoxy-2-pyridinyl)methyl 5-aminopyridine-2-carboxylate
SMILESCOc1ccnc(COC(=O)c2ccc(N)cn2)c1OC
InChIInChI=1S/C14H15N3O4/c1-19-12-5-6-16-11(13(12)20-2)8-21-14(18)10-4-3-9(15)7-17-10/h3-7H,8,15H2,1-2H3
InChIKeyPGLNXUWXOKDCEU-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.43
Rot. Bonds5

About (3,4-dimethoxy-2-pyridinyl)methyl 5-aminopyridine-2-carboxylate

(3,4-dimethoxy-2-pyridinyl)methyl 5-aminopyridine-2-carboxylate (PubChem CID 103173752) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is (3,4-dimethoxy-2-pyridinyl)methyl 5-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name(3,4-dimethoxy-2-pyridinyl)methyl 5-aminopyridine-2-carboxylate
PubChem CID103173752
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name(3,4-dimethoxy-2-pyridinyl)methyl 5-aminopyridine-2-carboxylate
SMILESCOc1ccnc(COC(=O)c2ccc(N)cn2)c1OC
InChIInChI=1S/C14H15N3O4/c1-19-12-5-6-16-11(13(12)20-2)8-21-14(18)10-4-3-9(15)7-17-10/h3-7H,8,15H2,1-2H3
InChIKeyPGLNXUWXOKDCEU-UHFFFAOYSA-N
XLogP1.43
TPSA96.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2-methoxyphenyl)methyl 5-aminopyridine-2-carboxylate
CID 81317382
quinolin-4-ylmethyl 5-aminopyridine-2-carboxylate
CID 81312647
4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171993
4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline
CID 103171992
3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171961
(4-tert-butylphenyl)methyl 5-aminopyridine-2-carboxylate
CID 81312491
2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate
CID 81312356
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171960
butyl 5-aminopyridine-2-carboxylate
CID 81315833
cyclopropylmethyl 5-aminopyridine-2-carboxylate
CID 81316089
(3,5-difluorophenyl)methyl 5-aminopyridine-2-carboxylate
CID 105407614

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxy-2-pyridinyl)methyl 5-aminopyridine-2-carboxylate?
The IUPAC name of (3,4-dimethoxy-2-pyridinyl)methyl 5-aminopyridine-2-carboxylate (CID 103173752) is (3,4-dimethoxy-2-pyridinyl)methyl 5-aminopyridine-2-carboxylate.
What is the SMILES notation for (3,4-dimethoxy-2-pyridinyl)methyl 5-aminopyridine-2-carboxylate?
The canonical SMILES for (3,4-dimethoxy-2-pyridinyl)methyl 5-aminopyridine-2-carboxylate is COc1ccnc(COC(=O)c2ccc(N)cn2)c1OC.
What is the InChIKey of (3,4-dimethoxy-2-pyridinyl)methyl 5-aminopyridine-2-carboxylate?
The InChIKey is PGLNXUWXOKDCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-19-12-5-6-16-11(13(12)20-2)8-21-14(18)10-4-3-9(15)7-17-10/h3-7H,8,15H2,1-2H3.
What are the key properties of (3,4-dimethoxy-2-pyridinyl)methyl 5-aminopyridine-2-carboxylate?
(3,4-dimethoxy-2-pyridinyl)methyl 5-aminopyridine-2-carboxylate has a molecular weight of 289.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxy-2-pyridinyl)methyl 5-aminopyridine-2-carboxylate is sourced from PubChem (CID 103173752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).