(2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide

C18H21N3O3 — CID 92800271

IUPAC(2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
SMILESCOc1ccc([C@@H]2CCCN2C(=O)Nc2cccnc2)c(OC)c1
InChIInChI=1S/C18H21N3O3/c1-23-14-7-8-15(17(11-14)24-2)16-6-4-10-21(16)18(22)20-13-5-3-9-19-12-13/h3,5,7-9,11-12,16H,4,6,10H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyFRSRWJBLBBPNAA-INIZCTEOSA-N
MW327.38 g/mol
LogP3.47
Rot. Bonds4

About (2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide

(2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide (PubChem CID 92800271) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
PubChem CID92800271
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
SMILESCOc1ccc([C@@H]2CCCN2C(=O)Nc2cccnc2)c(OC)c1
InChIInChI=1S/C18H21N3O3/c1-23-14-7-8-15(17(11-14)24-2)16-6-4-10-21(16)18(22)20-13-5-3-9-19-12-13/h3,5,7-9,11-12,16H,4,6,10H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyFRSRWJBLBBPNAA-INIZCTEOSA-N
XLogP3.47
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 92800272
N-(3,5-difluoro-4-methoxyphenyl)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 60543433
(3R)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 40919247
(2R)-2-(2,4-dimethoxyphenyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide
CID 39972982
N-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 55697171
(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856233
(2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 30238687
3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 55836469
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
2-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51204890
(2R)-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 95276109
2-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)pyrrolidine-1-carboxamide
CID 51111508

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide (CID 92800271) is (2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide is COc1ccc([C@@H]2CCCN2C(=O)Nc2cccnc2)c(OC)c1.
What is the InChIKey of (2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide?
The InChIKey is FRSRWJBLBBPNAA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-14-7-8-15(17(11-14)24-2)16-6-4-10-21(16)18(22)20-13-5-3-9-19-12-13/h3,5,7-9,11-12,16H,4,6,10H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of (2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide?
(2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 92800271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).