(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide

C19H24N4O2 — CID 94028579

IUPAC(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(N(C)C)nc2)c1
InChIInChI=1S/C19H24N4O2/c1-22(2)18-10-9-15(13-20-18)21-19(24)23-11-5-8-17(23)14-6-4-7-16(12-14)25-3/h4,6-7,9-10,12-13,17H,5,8,11H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeyCFRNFBOEYBLYOR-KRWDZBQOSA-N
MW340.43 g/mol
LogP3.53
Rot. Bonds4

About (2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide

(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 94028579) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID94028579
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(N(C)C)nc2)c1
InChIInChI=1S/C19H24N4O2/c1-22(2)18-10-9-15(13-20-18)21-19(24)23-11-5-8-17(23)14-6-4-7-16(12-14)25-3/h4,6-7,9-10,12-13,17H,5,8,11H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeyCFRNFBOEYBLYOR-KRWDZBQOSA-N
XLogP3.53
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 94796932
N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86986361
N-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987034
N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987252
(2R)-N-(3,5-dimethoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51855985
N-(3-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013061
N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)piperidine-1-carboxamide
CID 72906089
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
2-(3-methoxyphenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)pyrrolidine-1-carboxamide
CID 72867925
N-[6-(dimethylamino)-3-pyridinyl]-2-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
CID 71907067
2-(3-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide
CID 87010152
(2R)-N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(3-methoxyphenyl)piperidine-1-carboxamide
CID 125172176

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide (CID 94028579) is (2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide is COc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(N(C)C)nc2)c1.
What is the InChIKey of (2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is CFRNFBOEYBLYOR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22(2)18-10-9-15(13-20-18)21-19(24)23-11-5-8-17(23)14-6-4-7-16(12-14)25-3/h4,6-7,9-10,12-13,17H,5,8,11H2,1-3H3,(H,21,24)/t17-/m0/s1.
What are the key properties of (2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 94028579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).