N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide

C17H21N3O3 — CID 71863545

IUPACN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
SMILESCOc1cc(OC)cc(N2CCC(NC(=O)c3ccc[nH]3)C2)c1
InChIInChI=1S/C17H21N3O3/c1-22-14-8-13(9-15(10-14)23-2)20-7-5-12(11-20)19-17(21)16-4-3-6-18-16/h3-4,6,8-10,12,18H,5,7,11H2,1-2H3,(H,19,21)
InChIKeyDJEGBXZCHZBWEO-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.04
Rot. Bonds5

About N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide

N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide (PubChem CID 71863545) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
PubChem CID71863545
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
SMILESCOc1cc(OC)cc(N2CCC(NC(=O)c3ccc[nH]3)C2)c1
InChIInChI=1S/C17H21N3O3/c1-22-14-8-13(9-15(10-14)23-2)20-7-5-12(11-20)19-17(21)16-4-3-6-18-16/h3-4,6,8-10,12,18H,5,7,11H2,1-2H3,(H,19,21)
InChIKeyDJEGBXZCHZBWEO-UHFFFAOYSA-N
XLogP2.04
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide
CID 71863722
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclohexane-1-carboxamide
CID 91644359
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide;dihydrochloride
CID 119899338
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 119899355
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119899376
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119899384
N-[2-[[N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N'-methylcarbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111925431
4-amino-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride
CID 120597456
N-[2-[[N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N'-methylcarbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111925430
N-(azetidin-3-yl)-1H-pyrrole-2-carboxamide
CID 66187212
N-[1-(4-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide
CID 139018722
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide
CID 119942543

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide (CID 71863545) is N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide is COc1cc(OC)cc(N2CCC(NC(=O)c3ccc[nH]3)C2)c1.
What is the InChIKey of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is DJEGBXZCHZBWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-22-14-8-13(9-15(10-14)23-2)20-7-5-12(11-20)19-17(21)16-4-3-6-18-16/h3-4,6,8-10,12,18H,5,7,11H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide?
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 71863545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).