methyl 2-amino-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxylate

C12H15N3O3 — CID 175275086

IUPACmethyl 2-amino-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C(=O)N2CCCC2)cnc1N
InChIInChI=1S/C12H15N3O3/c1-18-12(17)9-6-8(7-14-10(9)13)11(16)15-4-2-3-5-15/h6-7H,2-5H2,1H3,(H2,13,14)
InChIKeyLKKYHAMEAQRMAD-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.69
Rot. Bonds2

About methyl 2-amino-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxylate

methyl 2-amino-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxylate (PubChem CID 175275086) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 2-amino-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxylate
PubChem CID175275086
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Namemethyl 2-amino-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C(=O)N2CCCC2)cnc1N
InChIInChI=1S/C12H15N3O3/c1-18-12(17)9-6-8(7-14-10(9)13)11(16)15-4-2-3-5-15/h6-7H,2-5H2,1H3,(H2,13,14)
InChIKeyLKKYHAMEAQRMAD-UHFFFAOYSA-N
XLogP0.69
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5,6-diamino-3-pyridinyl)-piperidin-1-ylmethanone
CID 139832748
2-amino-5-methoxycarbonylpyridine-3-carboxylic acid
CID 130066862
methyl 2-chloro-5-(pyrrolidine-1-carbonyl)benzoate
CID 155961213
methyl 2,5-diaminopyridine-3-carboxylate
CID 83792494
(6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone
CID 130159370
methyl 5-amino-1-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylate
CID 46363469
dimethyl 5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]benzene-1,3-dicarboxylate
CID 56584563
methyl 2-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109241271
(2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone
CID 89084134
methyl 3-[[5-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109249344
methyl 2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carboxylate
CID 91756600
ethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate
CID 156850074

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxylate (CID 175275086) is methyl 2-amino-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxylate is COC(=O)c1cc(C(=O)N2CCCC2)cnc1N.
What is the InChIKey of methyl 2-amino-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxylate?
The InChIKey is LKKYHAMEAQRMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-18-12(17)9-6-8(7-14-10(9)13)11(16)15-4-2-3-5-15/h6-7H,2-5H2,1H3,(H2,13,14).
What are the key properties of methyl 2-amino-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxylate?
methyl 2-amino-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 0.69, 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-(pyrrolidine-1-carbonyl)pyridine-3-carboxylate is sourced from PubChem (CID 175275086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).