(2R)-N-isoquinolin-5-yl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide

C19H20N4O — CID 95150749

IUPAC(2R)-N-isoquinolin-5-yl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
SMILESCn1cccc1[C@H]1CCCN1C(=O)Nc1cccc2cnccc12
InChIInChI=1S/C19H20N4O/c1-22-11-3-7-17(22)18-8-4-12-23(18)19(24)21-16-6-2-5-14-13-20-10-9-15(14)16/h2-3,5-7,9-11,13,18H,4,8,12H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyAOAHIBMUEGFNIN-GOSISDBHSA-N
MW320.40 g/mol
LogP3.94
Rot. Bonds2

About (2R)-N-isoquinolin-5-yl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide

(2R)-N-isoquinolin-5-yl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 95150749) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is (2R)-N-isoquinolin-5-yl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-isoquinolin-5-yl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
PubChem CID95150749
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name(2R)-N-isoquinolin-5-yl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
SMILESCn1cccc1[C@H]1CCCN1C(=O)Nc1cccc2cnccc12
InChIInChI=1S/C19H20N4O/c1-22-11-3-7-17(22)18-8-4-12-23(18)19(24)21-16-6-2-5-14-13-20-10-9-15(14)16/h2-3,5-7,9-11,13,18H,4,8,12H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyAOAHIBMUEGFNIN-GOSISDBHSA-N
XLogP3.94
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide
CID 47049591
N-[4-methyl-3-[[2-(1-methylpyrrol-2-yl)pyrrolidine-1-carbonyl]amino]phenyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 75656234
(2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide
CID 929734
(2S)-2-(1-methylpyrrol-2-yl)-N-(5-phenyl-1,2,4-triazin-3-yl)pyrrolidine-1-carboxamide
CID 95310608
(2R)-N-(6-methoxy-3-pyridinyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 94818646
(2R)-N-(2-methoxy-4-methylsulfanylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 129402239
(2S)-N-(2-methoxy-4-methylsulfanylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 129402238
2-(1-methylpyrrol-2-yl)-N-(6-methylsulfonyl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 51082269
3-(isoquinolin-5-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61205607
(2S)-N-(2-methoxy-6-methylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 124628090
cyclopropyl-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 94819352
N-[3-(cyclopentylamino)-3-oxopropyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 71937782

Frequently Asked Questions

What is the IUPAC name of (2R)-N-isoquinolin-5-yl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-isoquinolin-5-yl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide (CID 95150749) is (2R)-N-isoquinolin-5-yl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-isoquinolin-5-yl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-isoquinolin-5-yl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide is Cn1cccc1[C@H]1CCCN1C(=O)Nc1cccc2cnccc12.
What is the InChIKey of (2R)-N-isoquinolin-5-yl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is AOAHIBMUEGFNIN-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20N4O/c1-22-11-3-7-17(22)18-8-4-12-23(18)19(24)21-16-6-2-5-14-13-20-10-9-15(14)16/h2-3,5-7,9-11,13,18H,4,8,12H2,1H3,(H,21,24)/t18-/m1/s1.
What are the key properties of (2R)-N-isoquinolin-5-yl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide?
(2R)-N-isoquinolin-5-yl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-isoquinolin-5-yl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95150749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).