N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide

C23H26N4O3 — CID 55797664

IUPACN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)N3CCCC3c3cccn3C)cn2)c1
InChIInChI=1S/C23H26N4O3/c1-26-12-4-8-20(26)21-9-5-13-27(21)23(28)25-16-17-10-11-22(24-15-17)30-19-7-3-6-18(14-19)29-2/h3-4,6-8,10-12,14-15,21H,5,9,13,16H2,1-2H3,(H,25,28)
InChIKeyRPFAOLAGPMYXFE-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.27
Rot. Bonds6

About N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide

N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 55797664) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
PubChem CID55797664
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)N3CCCC3c3cccn3C)cn2)c1
InChIInChI=1S/C23H26N4O3/c1-26-12-4-8-20(26)21-9-5-13-27(21)23(28)25-16-17-10-11-22(24-15-17)30-19-7-3-6-18(14-19)29-2/h3-4,6-8,10-12,14-15,21H,5,9,13,16H2,1-2H3,(H,25,28)
InChIKeyRPFAOLAGPMYXFE-UHFFFAOYSA-N
XLogP4.27
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide (CID 55797664) is N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide is COc1cccc(Oc2ccc(CNC(=O)N3CCCC3c3cccn3C)cn2)c1.
What is the InChIKey of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is RPFAOLAGPMYXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-26-12-4-8-20(26)21-9-5-13-27(21)23(28)25-16-17-10-11-22(24-15-17)30-19-7-3-6-18(14-19)29-2/h3-4,6-8,10-12,14-15,21H,5,9,13,16H2,1-2H3,(H,25,28).
What are the key properties of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide?
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 55797664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).