N-(4-methoxy-2-methylphenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide

C24H30N4O4 — CID 91914058

IUPACN-(4-methoxy-2-methylphenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(Oc3ncccc3C(=O)N3CCCCC3)C2)c(C)c1
InChIInChI=1S/C24H30N4O4/c1-17-15-18(31-2)8-9-21(17)26-24(30)28-14-10-19(16-28)32-22-20(7-6-11-25-22)23(29)27-12-4-3-5-13-27/h6-9,11,15,19H,3-5,10,12-14,16H2,1-2H3,(H,26,30)
InChIKeyIPXBDGKZHXSZEH-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.71
Rot. Bonds5

About N-(4-methoxy-2-methylphenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide

N-(4-methoxy-2-methylphenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide (PubChem CID 91914058) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
PubChem CID91914058
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN-(4-methoxy-2-methylphenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(Oc3ncccc3C(=O)N3CCCCC3)C2)c(C)c1
InChIInChI=1S/C24H30N4O4/c1-17-15-18(31-2)8-9-21(17)26-24(30)28-14-10-19(16-28)32-22-20(7-6-11-25-22)23(29)27-12-4-3-5-13-27/h6-9,11,15,19H,3-5,10,12-14,16H2,1-2H3,(H,26,30)
InChIKeyIPXBDGKZHXSZEH-UHFFFAOYSA-N
XLogP3.71
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
CID 91914043
2-[1-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913977
[2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone
CID 91904267
(4-ethoxyphenyl)-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 91913913
(3,4-difluorophenyl)-[(3S)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 99739432
3-[(3-chloro-2-pyridinyl)oxy]-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide
CID 122248095
3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide
CID 91904308
(3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide
CID 125179914
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 100612049
2-[1-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913963
(1R,5S)-8-hydroxy-N-(4-methoxy-2-methylphenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 118789979
2-[1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913980

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide (CID 91914058) is N-(4-methoxy-2-methylphenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(Oc3ncccc3C(=O)N3CCCCC3)C2)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide?
The InChIKey is IPXBDGKZHXSZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-17-15-18(31-2)8-9-21(17)26-24(30)28-14-10-19(16-28)32-22-20(7-6-11-25-22)23(29)27-12-4-3-5-13-27/h6-9,11,15,19H,3-5,10,12-14,16H2,1-2H3,(H,26,30).
What are the key properties of N-(4-methoxy-2-methylphenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide?
N-(4-methoxy-2-methylphenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide is sourced from PubChem (CID 91914058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).