methyl 6-[[(2S,3R)-3-phenylpyrrolidine-2-carbonyl]amino]pyridine-3-carboxylate

C18H19N3O3 — CID 118100744

IUPACmethyl 6-[[(2S,3R)-3-phenylpyrrolidine-2-carbonyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)[C@H]2NCC[C@@H]2c2ccccc2)nc1
InChIInChI=1S/C18H19N3O3/c1-24-18(23)13-7-8-15(20-11-13)21-17(22)16-14(9-10-19-16)12-5-3-2-4-6-12/h2-8,11,14,16,19H,9-10H2,1H3,(H,20,21,22)/t14-,16+/m1/s1
InChIKeyWRQWAFWEQYLONC-ZBFHGGJFSA-N
MW325.37 g/mol
LogP1.95
Rot. Bonds4

About methyl 6-[[(2S,3R)-3-phenylpyrrolidine-2-carbonyl]amino]pyridine-3-carboxylate

methyl 6-[[(2S,3R)-3-phenylpyrrolidine-2-carbonyl]amino]pyridine-3-carboxylate (PubChem CID 118100744) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is methyl 6-[[(2S,3R)-3-phenylpyrrolidine-2-carbonyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[(2S,3R)-3-phenylpyrrolidine-2-carbonyl]amino]pyridine-3-carboxylate
PubChem CID118100744
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Namemethyl 6-[[(2S,3R)-3-phenylpyrrolidine-2-carbonyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)[C@H]2NCC[C@@H]2c2ccccc2)nc1
InChIInChI=1S/C18H19N3O3/c1-24-18(23)13-7-8-15(20-11-13)21-17(22)16-14(9-10-19-16)12-5-3-2-4-6-12/h2-8,11,14,16,19H,9-10H2,1H3,(H,20,21,22)/t14-,16+/m1/s1
InChIKeyWRQWAFWEQYLONC-ZBFHGGJFSA-N
XLogP1.95
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[(2S,3S)-3-phenylpyrrolidine-2-carbonyl]amino]benzoate
CID 118100771
ethane;methyl 6-benzamidopyridine-3-carboxylate
CID 91195390
methyl 3-phenylpyrrolidine-2-carboxylate
CID 18663579
tert-butyl 4-[(3-phenylpiperidine-2-carbonyl)amino]benzoate;ethane
CID 144816907
methyl 6-[(2R)-azetidin-2-yl]pyridine-3-carboxylate
CID 55296832
methyl 6-(cyclopentylamino)pyridine-3-carboxylate
CID 154654018
(2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67353931
(2R,3R)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 131632798
methyl 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate
CID 54003775
2-methyl-1-[(2S,3S)-3-phenylpyrrolidin-2-yl]propan-1-one
CID 59969688
methyl 6-(2-aminoanilino)pyridine-3-carboxylate
CID 118017531
methyl [(2R,3R)-3-phenylpyrrolidin-2-yl] carbonate
CID 173061877

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[(2S,3R)-3-phenylpyrrolidine-2-carbonyl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[(2S,3R)-3-phenylpyrrolidine-2-carbonyl]amino]pyridine-3-carboxylate (CID 118100744) is methyl 6-[[(2S,3R)-3-phenylpyrrolidine-2-carbonyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[(2S,3R)-3-phenylpyrrolidine-2-carbonyl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[(2S,3R)-3-phenylpyrrolidine-2-carbonyl]amino]pyridine-3-carboxylate is COC(=O)c1ccc(NC(=O)[C@H]2NCC[C@@H]2c2ccccc2)nc1.
What is the InChIKey of methyl 6-[[(2S,3R)-3-phenylpyrrolidine-2-carbonyl]amino]pyridine-3-carboxylate?
The InChIKey is WRQWAFWEQYLONC-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-24-18(23)13-7-8-15(20-11-13)21-17(22)16-14(9-10-19-16)12-5-3-2-4-6-12/h2-8,11,14,16,19H,9-10H2,1H3,(H,20,21,22)/t14-,16+/m1/s1.
What are the key properties of methyl 6-[[(2S,3R)-3-phenylpyrrolidine-2-carbonyl]amino]pyridine-3-carboxylate?
methyl 6-[[(2S,3R)-3-phenylpyrrolidine-2-carbonyl]amino]pyridine-3-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[(2S,3R)-3-phenylpyrrolidine-2-carbonyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 118100744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).