5-hydroxy-N-[[1-(2-phenylacetyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

C19H21N3O3 — CID 166186078

IUPAC5-hydroxy-N-[[1-(2-phenylacetyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCN(C(=O)Cc2ccccc2)C1)c1cncc(O)c1
InChIInChI=1S/C19H21N3O3/c23-17-9-16(11-20-12-17)19(25)21-10-15-6-7-22(13-15)18(24)8-14-4-2-1-3-5-14/h1-5,9,11-12,15,23H,6-8,10,13H2,(H,21,25)
InChIKeyGNTCNGZCWJSHCW-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.61
Rot. Bonds5

About 5-hydroxy-N-[[1-(2-phenylacetyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

5-hydroxy-N-[[1-(2-phenylacetyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 166186078) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 5-hydroxy-N-[[1-(2-phenylacetyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[[1-(2-phenylacetyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
PubChem CID166186078
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name5-hydroxy-N-[[1-(2-phenylacetyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCN(C(=O)Cc2ccccc2)C1)c1cncc(O)c1
InChIInChI=1S/C19H21N3O3/c23-17-9-16(11-20-12-17)19(25)21-10-15-6-7-22(13-15)18(24)8-14-4-2-1-3-5-14/h1-5,9,11-12,15,23H,6-8,10,13H2,(H,21,25)
InChIKeyGNTCNGZCWJSHCW-UHFFFAOYSA-N
XLogP1.61
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-hydroxypyridine-3-carboxamide
CID 124553912
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 55168474
N-(cyclopentylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63865672
N-[2-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide
CID 125011579
N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924745
1-[3-(2-bromoethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 114801701
5-hydroxy-N-(thiolan-3-ylmethyl)pyridine-3-carboxamide
CID 107296482
N-[[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide
CID 95211495
1-[(3S)-3-[[[(2R,6S)-2,6-dimethyloxan-4-yl]amino]methyl]pyrrolidin-1-yl]-2-phenylethanone
CID 97336680
N-benzyl-2-[1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]acetamide
CID 91907622
benzyl 4-[[(5-hydroxypyrimidine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 58933592
2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521437

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[[1-(2-phenylacetyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-[[1-(2-phenylacetyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (CID 166186078) is 5-hydroxy-N-[[1-(2-phenylacetyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[[1-(2-phenylacetyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-[[1-(2-phenylacetyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is O=C(NCC1CCN(C(=O)Cc2ccccc2)C1)c1cncc(O)c1.
What is the InChIKey of 5-hydroxy-N-[[1-(2-phenylacetyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is GNTCNGZCWJSHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-17-9-16(11-20-12-17)19(25)21-10-15-6-7-22(13-15)18(24)8-14-4-2-1-3-5-14/h1-5,9,11-12,15,23H,6-8,10,13H2,(H,21,25).
What are the key properties of 5-hydroxy-N-[[1-(2-phenylacetyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
5-hydroxy-N-[[1-(2-phenylacetyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[[1-(2-phenylacetyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 166186078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).