(3R,4S)-3-benzyl-N-cinnolin-3-yl-4-hydroxypyrrolidine-1-carboxamide

C20H20N4O2 — CID 154781982

IUPAC(3R,4S)-3-benzyl-N-cinnolin-3-yl-4-hydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1cc2ccccc2nn1)N1C[C@@H](Cc2ccccc2)[C@H](O)C1
InChIInChI=1S/C20H20N4O2/c25-18-13-24(12-16(18)10-14-6-2-1-3-7-14)20(26)21-19-11-15-8-4-5-9-17(15)22-23-19/h1-9,11,16,18,25H,10,12-13H2,(H,21,23,26)/t16-,18-/m1/s1
InChIKeyRWSLZDXRIAWLAC-SJLPKXTDSA-N
MW348.41 g/mol
LogP2.70
Rot. Bonds3

About (3R,4S)-3-benzyl-N-cinnolin-3-yl-4-hydroxypyrrolidine-1-carboxamide

(3R,4S)-3-benzyl-N-cinnolin-3-yl-4-hydroxypyrrolidine-1-carboxamide (PubChem CID 154781982) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (3R,4S)-3-benzyl-N-cinnolin-3-yl-4-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4S)-3-benzyl-N-cinnolin-3-yl-4-hydroxypyrrolidine-1-carboxamide
PubChem CID154781982
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(3R,4S)-3-benzyl-N-cinnolin-3-yl-4-hydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1cc2ccccc2nn1)N1C[C@@H](Cc2ccccc2)[C@H](O)C1
InChIInChI=1S/C20H20N4O2/c25-18-13-24(12-16(18)10-14-6-2-1-3-7-14)20(26)21-19-11-15-8-4-5-9-17(15)22-23-19/h1-9,11,16,18,25H,10,12-13H2,(H,21,23,26)/t16-,18-/m1/s1
InChIKeyRWSLZDXRIAWLAC-SJLPKXTDSA-N
XLogP2.70
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cinnolin-3-yl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 126834193
(3R,4S)-3-benzyl-N-(1-tert-butyl-1,2,4-triazol-3-yl)-4-hydroxypyrrolidine-1-carboxamide
CID 138028201
(3R,4S)-3-benzyl-N-[2-(difluoromethoxy)-4-pyridinyl]-4-hydroxypyrrolidine-1-carboxamide
CID 167978397
(3R,4S)-3-benzyl-4-hydroxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 138025188
[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(1H-pyrrolo[3,2-b]pyridin-5-yl)methanone
CID 136587823
[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone
CID 136587831
[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-7-yl)methanone
CID 136587827
N-[2-[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
CID 136587839
2-(cyclopropylamino)-1-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]ethanone
CID 135110284
3,4-dihydroxy-N-(2-phenylacetyl)pyrrolidine-1-carboxamide
CID 23297556
1-(quinolin-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032131
benzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate
CID 142093012

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-benzyl-N-cinnolin-3-yl-4-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of (3R,4S)-3-benzyl-N-cinnolin-3-yl-4-hydroxypyrrolidine-1-carboxamide (CID 154781982) is (3R,4S)-3-benzyl-N-cinnolin-3-yl-4-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3R,4S)-3-benzyl-N-cinnolin-3-yl-4-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for (3R,4S)-3-benzyl-N-cinnolin-3-yl-4-hydroxypyrrolidine-1-carboxamide is O=C(Nc1cc2ccccc2nn1)N1C[C@@H](Cc2ccccc2)[C@H](O)C1.
What is the InChIKey of (3R,4S)-3-benzyl-N-cinnolin-3-yl-4-hydroxypyrrolidine-1-carboxamide?
The InChIKey is RWSLZDXRIAWLAC-SJLPKXTDSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-18-13-24(12-16(18)10-14-6-2-1-3-7-14)20(26)21-19-11-15-8-4-5-9-17(15)22-23-19/h1-9,11,16,18,25H,10,12-13H2,(H,21,23,26)/t16-,18-/m1/s1.
What are the key properties of (3R,4S)-3-benzyl-N-cinnolin-3-yl-4-hydroxypyrrolidine-1-carboxamide?
(3R,4S)-3-benzyl-N-cinnolin-3-yl-4-hydroxypyrrolidine-1-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-benzyl-N-cinnolin-3-yl-4-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 154781982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).