2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide

C20H20N4O2 — CID 135120865

IUPAC2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1C[C@@H](Cc2ccc3ccccc3n2)[C@H](O)C1
InChIInChI=1S/C20H20N4O2/c21-19(26)16-5-3-9-22-20(16)24-11-14(18(25)12-24)10-15-8-7-13-4-1-2-6-17(13)23-15/h1-9,14,18,25H,10-12H2,(H2,21,26)/t14-,18-/m1/s1
InChIKeyKETLVJOJTGGWCR-RDTXWAMCSA-N
MW348.41 g/mol
LogP1.77
Rot. Bonds4

About 2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide

2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 135120865) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID135120865
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1C[C@@H](Cc2ccc3ccccc3n2)[C@H](O)C1
InChIInChI=1S/C20H20N4O2/c21-19(26)16-5-3-9-22-20(16)24-11-14(18(25)12-24)10-15-8-7-13-4-1-2-6-17(13)23-15/h1-9,14,18,25H,10-12H2,(H2,21,26)/t14-,18-/m1/s1
InChIKeyKETLVJOJTGGWCR-RDTXWAMCSA-N
XLogP1.77
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
CID 155502099
[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
CID 155492449
2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]pyridine-3-carboxamide
CID 50983878
2-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)pyridine-3-carboxamide
CID 75595348
(3S,4R)-1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
CID 155503187
[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 135117582
2-(cyclopropylamino)-1-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]ethanone
CID 135110284
[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone
CID 155492509
(3S,4R)-4-(pyridin-2-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 135114068
N,N-diethyl-2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]acetamide
CID 135094368
2-[(3aS,5R,6R,7aR)-5-(benzimidazol-1-yl)-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]pyridine-3-carboxamide
CID 172655717
[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 155505876

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide (CID 135120865) is 2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide is NC(=O)c1cccnc1N1C[C@@H](Cc2ccc3ccccc3n2)[C@H](O)C1.
What is the InChIKey of 2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is KETLVJOJTGGWCR-RDTXWAMCSA-N. The full InChI is InChI=1S/C20H20N4O2/c21-19(26)16-5-3-9-22-20(16)24-11-14(18(25)12-24)10-15-8-7-13-4-1-2-6-17(13)23-15/h1-9,14,18,25H,10-12H2,(H2,21,26)/t14-,18-/m1/s1.
What are the key properties of 2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 135120865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).