methyl 3-[(6-methylpyridine-2-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate

C19H21N3O3 — CID 47021822

IUPACmethyl 3-[(6-methylpyridine-2-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate
SMILESCOC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cccc(C)n2)c1
InChIInChI=1S/C19H21N3O3/c1-13-6-5-7-15(20-13)18(23)21-16-12-14(19(24)25-2)8-9-17(16)22-10-3-4-11-22/h5-9,12H,3-4,10-11H2,1-2H3,(H,21,23)
InChIKeySTYVHQBEXMQNMH-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.03
Rot. Bonds4

About methyl 3-[(6-methylpyridine-2-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate

methyl 3-[(6-methylpyridine-2-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate (PubChem CID 47021822) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is methyl 3-[(6-methylpyridine-2-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(6-methylpyridine-2-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate
PubChem CID47021822
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Namemethyl 3-[(6-methylpyridine-2-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate
SMILESCOC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cccc(C)n2)c1
InChIInChI=1S/C19H21N3O3/c1-13-6-5-7-15(20-13)18(23)21-16-12-14(19(24)25-2)8-9-17(16)22-10-3-4-11-22/h5-9,12H,3-4,10-11H2,1-2H3,(H,21,23)
InChIKeySTYVHQBEXMQNMH-UHFFFAOYSA-N
XLogP3.03
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methyl-3-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 32642709
methyl 3-[(2-phenyltriazole-4-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate
CID 46515124
methyl 3-[(3-nitrobenzoyl)amino]-4-pyrrolidin-1-ylbenzoate
CID 55516795
methyl 3-[[4-(methoxymethyl)benzoyl]amino]-4-pyrrolidin-1-ylbenzoate
CID 51337606
methyl 4-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 31703569
methyl 4-pyrrolidin-1-yl-3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 55517601
methyl 4-pyrrolidin-1-yl-3-[[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]benzoate
CID 112819534
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoline-2-carboxamide
CID 17467965
methyl 3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate
CID 112830752
methyl 3-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]amino]-4-pyrrolidin-1-ylbenzoate
CID 55698408
methyl 3-(2-methylbutanoylamino)-4-pyrrolidin-1-ylbenzoate
CID 51337619
methyl 3-benzamido-4-(4-methylpiperazin-1-yl)benzoate
CID 6457150

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-methylpyridine-2-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate?
The IUPAC name of methyl 3-[(6-methylpyridine-2-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate (CID 47021822) is methyl 3-[(6-methylpyridine-2-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate.
What is the SMILES notation for methyl 3-[(6-methylpyridine-2-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate?
The canonical SMILES for methyl 3-[(6-methylpyridine-2-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate is COC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cccc(C)n2)c1.
What is the InChIKey of methyl 3-[(6-methylpyridine-2-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate?
The InChIKey is STYVHQBEXMQNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-6-5-7-15(20-13)18(23)21-16-12-14(19(24)25-2)8-9-17(16)22-10-3-4-11-22/h5-9,12H,3-4,10-11H2,1-2H3,(H,21,23).
What are the key properties of methyl 3-[(6-methylpyridine-2-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate?
methyl 3-[(6-methylpyridine-2-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate has a molecular weight of 339.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-methylpyridine-2-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate is sourced from PubChem (CID 47021822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).