N-[(3R)-1-benzylpyrrolidin-3-yl]isoquinoline-1-carboxamide

C21H21N3O — CID 95254725

IUPACN-[(3R)-1-benzylpyrrolidin-3-yl]isoquinoline-1-carboxamide
SMILESO=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1nccc2ccccc12
InChIInChI=1S/C21H21N3O/c25-21(20-19-9-5-4-8-17(19)10-12-22-20)23-18-11-13-24(15-18)14-16-6-2-1-3-7-16/h1-10,12,18H,11,13-15H2,(H,23,25)/t18-/m1/s1
InChIKeyNONPEGCWWOQTPB-GOSISDBHSA-N
MW331.42 g/mol
LogP3.24
Rot. Bonds4

About N-[(3R)-1-benzylpyrrolidin-3-yl]isoquinoline-1-carboxamide

N-[(3R)-1-benzylpyrrolidin-3-yl]isoquinoline-1-carboxamide (PubChem CID 95254725) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(3R)-1-benzylpyrrolidin-3-yl]isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpyrrolidin-3-yl]isoquinoline-1-carboxamide
PubChem CID95254725
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-[(3R)-1-benzylpyrrolidin-3-yl]isoquinoline-1-carboxamide
SMILESO=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1nccc2ccccc12
InChIInChI=1S/C21H21N3O/c25-21(20-19-9-5-4-8-17(19)10-12-22-20)23-18-11-13-24(15-18)14-16-6-2-1-3-7-16/h1-10,12,18H,11,13-15H2,(H,23,25)/t18-/m1/s1
InChIKeyNONPEGCWWOQTPB-GOSISDBHSA-N
XLogP3.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide
CID 9488581
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 41232811
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-(1-benzylpyrrolidin-3-yl)-4-methoxyquinoline-3-carboxamide
CID 44533094
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
CID 9118983
N-(1-benzylpyrrolidin-3-yl)-2-phenylbenzamide
CID 46546920
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10568741
N-(1-benzylpyrrolidin-3-yl)-2-bromofuran-3-carboxamide
CID 106853183
N-[(3R)-1-benzylpyrrolidin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 94174293
N-(1-benzylpyrrolidin-3-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 51110849
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]isoquinoline-1-carboxamide?
The IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]isoquinoline-1-carboxamide (CID 95254725) is N-[(3R)-1-benzylpyrrolidin-3-yl]isoquinoline-1-carboxamide.
What is the SMILES notation for N-[(3R)-1-benzylpyrrolidin-3-yl]isoquinoline-1-carboxamide?
The canonical SMILES for N-[(3R)-1-benzylpyrrolidin-3-yl]isoquinoline-1-carboxamide is O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1nccc2ccccc12.
What is the InChIKey of N-[(3R)-1-benzylpyrrolidin-3-yl]isoquinoline-1-carboxamide?
The InChIKey is NONPEGCWWOQTPB-GOSISDBHSA-N. The full InChI is InChI=1S/C21H21N3O/c25-21(20-19-9-5-4-8-17(19)10-12-22-20)23-18-11-13-24(15-18)14-16-6-2-1-3-7-16/h1-10,12,18H,11,13-15H2,(H,23,25)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpyrrolidin-3-yl]isoquinoline-1-carboxamide?
N-[(3R)-1-benzylpyrrolidin-3-yl]isoquinoline-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpyrrolidin-3-yl]isoquinoline-1-carboxamide is sourced from PubChem (CID 95254725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).