2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

C19H23N3O2 — CID 154794501

IUPAC2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1cccc(C2CCCN2c2ncccc2C(=O)N(C)C)c1
InChIInChI=1S/C19H23N3O2/c1-21(2)19(23)16-9-5-11-20-18(16)22-12-6-10-17(22)14-7-4-8-15(13-14)24-3/h4-5,7-9,11,13,17H,6,10,12H2,1-3H3
InChIKeyJBOYCLAJADKPHZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.13
Rot. Bonds4

About 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 154794501) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID154794501
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1cccc(C2CCCN2c2ncccc2C(=O)N(C)C)c1
InChIInChI=1S/C19H23N3O2/c1-21(2)19(23)16-9-5-11-20-18(16)22-12-6-10-17(22)14-7-4-8-15(13-14)24-3/h4-5,7-9,11,13,17H,6,10,12H2,1-3H3
InChIKeyJBOYCLAJADKPHZ-UHFFFAOYSA-N
XLogP3.13
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carboxylate
CID 97064012
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78834014
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 86916010
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
4-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 97280605
(2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51929591
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 95715803
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]quinoline
CID 133331422
2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 136569350
2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 40637940

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (CID 154794501) is 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is COc1cccc(C2CCCN2c2ncccc2C(=O)N(C)C)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is JBOYCLAJADKPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-21(2)19(23)16-9-5-11-20-18(16)22-12-6-10-17(22)14-7-4-8-15(13-14)24-3/h4-5,7-9,11,13,17H,6,10,12H2,1-3H3.
What are the key properties of 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 154794501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).