2-pyridin-3-ylethyl 5-amino-2-methylpyridine-3-carboxylate

C14H15N3O2 — CID 55169977

IUPAC2-pyridin-3-ylethyl 5-amino-2-methylpyridine-3-carboxylate
SMILESCc1ncc(N)cc1C(=O)OCCc1cccnc1
InChIInChI=1S/C14H15N3O2/c1-10-13(7-12(15)9-17-10)14(18)19-6-4-11-3-2-5-16-8-11/h2-3,5,7-9H,4,6,15H2,1H3
InChIKeyHVHASOXSBMHLMW-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.77
Rot. Bonds4

About 2-pyridin-3-ylethyl 5-amino-2-methylpyridine-3-carboxylate

2-pyridin-3-ylethyl 5-amino-2-methylpyridine-3-carboxylate (PubChem CID 55169977) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-pyridin-3-ylethyl 5-amino-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name2-pyridin-3-ylethyl 5-amino-2-methylpyridine-3-carboxylate
PubChem CID55169977
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-pyridin-3-ylethyl 5-amino-2-methylpyridine-3-carboxylate
SMILESCc1ncc(N)cc1C(=O)OCCc1cccnc1
InChIInChI=1S/C14H15N3O2/c1-10-13(7-12(15)9-17-10)14(18)19-6-4-11-3-2-5-16-8-11/h2-3,5,7-9H,4,6,15H2,1H3
InChIKeyHVHASOXSBMHLMW-UHFFFAOYSA-N
XLogP1.77
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-3-ylethyl 3-amino-2-methylbenzoate
CID 63262806
5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 54916915
(3-methyl-2-pyridinyl)methyl 5-amino-2-methylpyridine-3-carboxylate
CID 112651177
2-pyrazol-1-ylethyl 5-amino-2-methylpyridine-3-carboxylate
CID 54961483
2-pyridin-3-ylethyl quinoline-4-carboxylate
CID 127257423
2-pyridin-3-ylethyl 3-amino-4-bromobenzoate
CID 63263115
4-amino-2-(2-pyridin-3-ylethoxy)benzoic acid
CID 106954787
pyridine;2-pyridin-3-ylethyl acetate
CID 23213945
2-pyridin-3-ylethyl 3-aminothiophene-2-carboxylate
CID 63263035
thiophen-3-ylmethyl 5-amino-2-methylpyridine-3-carboxylate
CID 61323017
2-ethylbutyl 5-amino-2-methylpyridine-3-carboxylate
CID 82930895
2-pyridin-3-ylethyl 4-methoxy-3-pyridin-2-ylbenzoate
CID 71967557

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylethyl 5-amino-2-methylpyridine-3-carboxylate?
The IUPAC name of 2-pyridin-3-ylethyl 5-amino-2-methylpyridine-3-carboxylate (CID 55169977) is 2-pyridin-3-ylethyl 5-amino-2-methylpyridine-3-carboxylate.
What is the SMILES notation for 2-pyridin-3-ylethyl 5-amino-2-methylpyridine-3-carboxylate?
The canonical SMILES for 2-pyridin-3-ylethyl 5-amino-2-methylpyridine-3-carboxylate is Cc1ncc(N)cc1C(=O)OCCc1cccnc1.
What is the InChIKey of 2-pyridin-3-ylethyl 5-amino-2-methylpyridine-3-carboxylate?
The InChIKey is HVHASOXSBMHLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-13(7-12(15)9-17-10)14(18)19-6-4-11-3-2-5-16-8-11/h2-3,5,7-9H,4,6,15H2,1H3.
What are the key properties of 2-pyridin-3-ylethyl 5-amino-2-methylpyridine-3-carboxylate?
2-pyridin-3-ylethyl 5-amino-2-methylpyridine-3-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylethyl 5-amino-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 55169977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).