methyl 6-[(1-acetylpyrrolidin-3-yl)amino]-2-methylpyridine-3-carboxylate

C14H19N3O3 — CID 133420318

IUPACmethyl 6-[(1-acetylpyrrolidin-3-yl)amino]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCN(C(C)=O)C2)nc1C
InChIInChI=1S/C14H19N3O3/c1-9-12(14(19)20-3)4-5-13(15-9)16-11-6-7-17(8-11)10(2)18/h4-5,11H,6-8H2,1-3H3,(H,15,16)
InChIKeyAVCXKCUCEMTUMX-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.21
Rot. Bonds3

About methyl 6-[(1-acetylpyrrolidin-3-yl)amino]-2-methylpyridine-3-carboxylate

methyl 6-[(1-acetylpyrrolidin-3-yl)amino]-2-methylpyridine-3-carboxylate (PubChem CID 133420318) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 6-[(1-acetylpyrrolidin-3-yl)amino]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(1-acetylpyrrolidin-3-yl)amino]-2-methylpyridine-3-carboxylate
PubChem CID133420318
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namemethyl 6-[(1-acetylpyrrolidin-3-yl)amino]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCN(C(C)=O)C2)nc1C
InChIInChI=1S/C14H19N3O3/c1-9-12(14(19)20-3)4-5-13(15-9)16-11-6-7-17(8-11)10(2)18/h4-5,11H,6-8H2,1-3H3,(H,15,16)
InChIKeyAVCXKCUCEMTUMX-UHFFFAOYSA-N
XLogP1.21
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(1-acetylpyrrolidin-3-yl)amino]-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-[(1-acetylpyrrolidin-3-yl)amino]-2-methylpyridine-3-carboxylate (CID 133420318) is methyl 6-[(1-acetylpyrrolidin-3-yl)amino]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(1-acetylpyrrolidin-3-yl)amino]-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(1-acetylpyrrolidin-3-yl)amino]-2-methylpyridine-3-carboxylate is COC(=O)c1ccc(NC2CCN(C(C)=O)C2)nc1C.
What is the InChIKey of methyl 6-[(1-acetylpyrrolidin-3-yl)amino]-2-methylpyridine-3-carboxylate?
The InChIKey is AVCXKCUCEMTUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-12(14(19)20-3)4-5-13(15-9)16-11-6-7-17(8-11)10(2)18/h4-5,11H,6-8H2,1-3H3,(H,15,16).
What are the key properties of methyl 6-[(1-acetylpyrrolidin-3-yl)amino]-2-methylpyridine-3-carboxylate?
methyl 6-[(1-acetylpyrrolidin-3-yl)amino]-2-methylpyridine-3-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(1-acetylpyrrolidin-3-yl)amino]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 133420318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).