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

C21H26N4O5 — CID 91913977

IUPAC2-[1-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(Oc3ncccc3C(=O)N(C)C)C2)c(OC)c1
InChIInChI=1S/C21H26N4O5/c1-24(2)20(26)16-6-5-10-22-19(16)30-15-9-11-25(13-15)21(27)23-17-8-7-14(28-3)12-18(17)29-4/h5-8,10,12,15H,9,11,13H2,1-4H3,(H,23,27)
InChIKeyCGRFONQLMUQHQW-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.49
Rot. Bonds6

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

2-[1-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide (PubChem CID 91913977) has the molecular formula C21H26N4O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-[1-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
PubChem CID91913977
Molecular FormulaC21H26N4O5
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Name2-[1-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(Oc3ncccc3C(=O)N(C)C)C2)c(OC)c1
InChIInChI=1S/C21H26N4O5/c1-24(2)20(26)16-6-5-10-22-19(16)30-15-9-11-25(13-15)21(27)23-17-8-7-14(28-3)12-18(17)29-4/h5-8,10,12,15H,9,11,13H2,1-4H3,(H,23,27)
InChIKeyCGRFONQLMUQHQW-UHFFFAOYSA-N
XLogP2.49
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913980
2-[1-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913963
N-(4-methoxy-2-methylphenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
CID 91914058
3-[(3-chloro-2-pyridinyl)oxy]-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide
CID 122248095
2-[1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913891
2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913890
N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide
CID 122247300
N,N-dimethyl-2-(1-propanoylpiperidin-4-yl)oxypyridine-3-carboxamide
CID 91904245
N-(5-chloro-2-methoxyphenyl)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637156
N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257523
(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 125130524
[2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone
CID 91904267

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[1-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide (CID 91913977) is 2-[1-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide is COc1ccc(NC(=O)N2CCC(Oc3ncccc3C(=O)N(C)C)C2)c(OC)c1.
What is the InChIKey of 2-[1-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is CGRFONQLMUQHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5/c1-24(2)20(26)16-6-5-10-22-19(16)30-15-9-11-25(13-15)21(27)23-17-8-7-14(28-3)12-18(17)29-4/h5-8,10,12,15H,9,11,13H2,1-4H3,(H,23,27).
What are the key properties of 2-[1-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
2-[1-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 91913977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).