6-chloro-N-[(3R)-1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide

C20H20ClN3O2 — CID 57288281

IUPAC6-chloro-N-[(3R)-1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide
SMILESC[C@@]1(NC(=O)c2cccc(Cl)n2)CCN([C@H]2CCc3ccccc32)C1=O
InChIInChI=1S/C20H20ClN3O2/c1-20(23-18(25)15-7-4-8-17(21)22-15)11-12-24(19(20)26)16-10-9-13-5-2-3-6-14(13)16/h2-8,16H,9-12H2,1H3,(H,23,25)/t16-,20+/m0/s1
InChIKeyBYFQIOKTHWUVBM-OXJNMPFZSA-N
MW369.85 g/mol
LogP3.14
Rot. Bonds3

About 6-chloro-N-[(3R)-1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide

6-chloro-N-[(3R)-1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide (PubChem CID 57288281) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 6-chloro-N-[(3R)-1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3R)-1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide
PubChem CID57288281
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name6-chloro-N-[(3R)-1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide
SMILESC[C@@]1(NC(=O)c2cccc(Cl)n2)CCN([C@H]2CCc3ccccc32)C1=O
InChIInChI=1S/C20H20ClN3O2/c1-20(23-18(25)15-7-4-8-17(21)22-15)11-12-24(19(20)26)16-10-9-13-5-2-3-6-14(13)16/h2-8,16H,9-12H2,1H3,(H,23,25)/t16-,20+/m0/s1
InChIKeyBYFQIOKTHWUVBM-OXJNMPFZSA-N
XLogP3.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[1-[2-(3-chlorophenyl)-2-methylpropyl]-3-methyl-2-sulfanylidenepyrrolidin-3-yl]pyridine-2-carboxamide
CID 142028632
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CID 62240588
1-[(6-chloropyridine-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 62239913
6-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 62233467
1-(2,3-dihydro-1H-inden-1-yl)-N,4-dimethylpiperidin-4-amine
CID 113282872
6-chloro-N-cyclobutylpyridine-2-carboxamide
CID 62416543
1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-3-[2-(5-methylfuran-2-yl)prop-2-enyl]pyrrolidin-2-one;molecular hydrogen
CID 142028695
6-chloro-N-(2-cyclopropylpropyl)pyridine-2-carboxamide
CID 115599506
(6-chloro-2-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83137505
6-chloro-N-(1,3-dimethylpiperidin-4-yl)pyridine-2-carboxamide
CID 115600288
2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 4314166
6-chloro-N-(1-cyclopropylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 62233324

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3R)-1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(3R)-1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide (CID 57288281) is 6-chloro-N-[(3R)-1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3R)-1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(3R)-1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide is C[C@@]1(NC(=O)c2cccc(Cl)n2)CCN([C@H]2CCc3ccccc32)C1=O.
What is the InChIKey of 6-chloro-N-[(3R)-1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide?
The InChIKey is BYFQIOKTHWUVBM-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-20(23-18(25)15-7-4-8-17(21)22-15)11-12-24(19(20)26)16-10-9-13-5-2-3-6-14(13)16/h2-8,16H,9-12H2,1H3,(H,23,25)/t16-,20+/m0/s1.
What are the key properties of 6-chloro-N-[(3R)-1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide?
6-chloro-N-[(3R)-1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3R)-1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 57288281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).