N-[[(3S,4R)-3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide

C19H23N3O4 — CID 110139694

IUPACN-[[(3S,4R)-3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CN2C[C@@H](O)[C@](O)(CNC(=O)c3ccccn3)C2)cc1
InChIInChI=1S/C19H23N3O4/c1-26-15-7-5-14(6-8-15)10-22-11-17(23)19(25,13-22)12-21-18(24)16-4-2-3-9-20-16/h2-9,17,23,25H,10-13H2,1H3,(H,21,24)/t17-,19+/m1/s1
InChIKeyFODXONUFJZHBDE-MJGOQNOKSA-N
MW357.41 g/mol
LogP0.43
Rot. Bonds6

About N-[[(3S,4R)-3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide

N-[[(3S,4R)-3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide (PubChem CID 110139694) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[[(3S,4R)-3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(3S,4R)-3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide
PubChem CID110139694
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[[(3S,4R)-3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CN2C[C@@H](O)[C@](O)(CNC(=O)c3ccccn3)C2)cc1
InChIInChI=1S/C19H23N3O4/c1-26-15-7-5-14(6-8-15)10-22-11-17(23)19(25,13-22)12-21-18(24)16-4-2-3-9-20-16/h2-9,17,23,25H,10-13H2,1H3,(H,21,24)/t17-,19+/m1/s1
InChIKeyFODXONUFJZHBDE-MJGOQNOKSA-N
XLogP0.43
TPSA94.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R)-3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[(3S,4R)-3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide (CID 110139694) is N-[[(3S,4R)-3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[(3S,4R)-3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[(3S,4R)-3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide is COc1ccc(CN2C[C@@H](O)[C@](O)(CNC(=O)c3ccccn3)C2)cc1.
What is the InChIKey of N-[[(3S,4R)-3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide?
The InChIKey is FODXONUFJZHBDE-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-26-15-7-5-14(6-8-15)10-22-11-17(23)19(25,13-22)12-21-18(24)16-4-2-3-9-20-16/h2-9,17,23,25H,10-13H2,1H3,(H,21,24)/t17-,19+/m1/s1.
What are the key properties of N-[[(3S,4R)-3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide?
N-[[(3S,4R)-3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R)-3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 110139694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).