2-[1-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide

C21H26N4O3 — CID 91913963

IUPAC2-[1-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(Oc3ncccc3C(=O)N(C)C)C2)cc1C
InChIInChI=1S/C21H26N4O3/c1-14-7-8-16(12-15(14)2)23-21(27)25-11-9-17(13-25)28-19-18(6-5-10-22-19)20(26)24(3)4/h5-8,10,12,17H,9,11,13H2,1-4H3,(H,23,27)
InChIKeyJSUHQAAYTQGFKE-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.09
Rot. Bonds4

About 2-[1-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide

2-[1-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide (PubChem CID 91913963) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[1-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
PubChem CID91913963
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-[1-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(Oc3ncccc3C(=O)N(C)C)C2)cc1C
InChIInChI=1S/C21H26N4O3/c1-14-7-8-16(12-15(14)2)23-21(27)25-11-9-17(13-25)28-19-18(6-5-10-22-19)20(26)24(3)4/h5-8,10,12,17H,9,11,13H2,1-4H3,(H,23,27)
InChIKeyJSUHQAAYTQGFKE-UHFFFAOYSA-N
XLogP3.09
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913977
2-[1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913980
3-[(3-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide
CID 122249293
N,N-dimethyl-2-(1-propanoylpiperidin-4-yl)oxypyridine-3-carboxamide
CID 91904245
2-[1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913891
2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91904282
2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913890
3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide
CID 91904308
N-(4-methoxy-2-methylphenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
CID 91914058
N-ethyl-2-[1-(2-methylbenzoyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide
CID 91914015
(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
2-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide
CID 91904300

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[1-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide (CID 91913963) is 2-[1-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide is Cc1ccc(NC(=O)N2CCC(Oc3ncccc3C(=O)N(C)C)C2)cc1C.
What is the InChIKey of 2-[1-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is JSUHQAAYTQGFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14-7-8-16(12-15(14)2)23-21(27)25-11-9-17(13-25)28-19-18(6-5-10-22-19)20(26)24(3)4/h5-8,10,12,17H,9,11,13H2,1-4H3,(H,23,27).
What are the key properties of 2-[1-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
2-[1-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 91913963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).