N-[[4-(dimethylcarbamoyl)phenyl]-pyridin-3-yloxymethyl]piperazine-1-carboxamide

C20H25N5O3 — CID 140578105

IUPACN-[[4-(dimethylcarbamoyl)phenyl]-pyridin-3-yloxymethyl]piperazine-1-carboxamide
SMILESCN(C)C(=O)c1ccc(C(NC(=O)N2CCNCC2)Oc2cccnc2)cc1
InChIInChI=1S/C20H25N5O3/c1-24(2)19(26)16-7-5-15(6-8-16)18(28-17-4-3-9-22-14-17)23-20(27)25-12-10-21-11-13-25/h3-9,14,18,21H,10-13H2,1-2H3,(H,23,27)
InChIKeyMYDLQCDYUCRFDN-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.48
Rot. Bonds5

About N-[[4-(dimethylcarbamoyl)phenyl]-pyridin-3-yloxymethyl]piperazine-1-carboxamide

N-[[4-(dimethylcarbamoyl)phenyl]-pyridin-3-yloxymethyl]piperazine-1-carboxamide (PubChem CID 140578105) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[[4-(dimethylcarbamoyl)phenyl]-pyridin-3-yloxymethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylcarbamoyl)phenyl]-pyridin-3-yloxymethyl]piperazine-1-carboxamide
PubChem CID140578105
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-[[4-(dimethylcarbamoyl)phenyl]-pyridin-3-yloxymethyl]piperazine-1-carboxamide
SMILESCN(C)C(=O)c1ccc(C(NC(=O)N2CCNCC2)Oc2cccnc2)cc1
InChIInChI=1S/C20H25N5O3/c1-24(2)19(26)16-7-5-15(6-8-16)18(28-17-4-3-9-22-14-17)23-20(27)25-12-10-21-11-13-25/h3-9,14,18,21H,10-13H2,1-2H3,(H,23,27)
InChIKeyMYDLQCDYUCRFDN-UHFFFAOYSA-N
XLogP1.48
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]-pyridin-3-yloxymethyl]piperazine-1-carboxamide?
The IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]-pyridin-3-yloxymethyl]piperazine-1-carboxamide (CID 140578105) is N-[[4-(dimethylcarbamoyl)phenyl]-pyridin-3-yloxymethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[[4-(dimethylcarbamoyl)phenyl]-pyridin-3-yloxymethyl]piperazine-1-carboxamide?
The canonical SMILES for N-[[4-(dimethylcarbamoyl)phenyl]-pyridin-3-yloxymethyl]piperazine-1-carboxamide is CN(C)C(=O)c1ccc(C(NC(=O)N2CCNCC2)Oc2cccnc2)cc1.
What is the InChIKey of N-[[4-(dimethylcarbamoyl)phenyl]-pyridin-3-yloxymethyl]piperazine-1-carboxamide?
The InChIKey is MYDLQCDYUCRFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-24(2)19(26)16-7-5-15(6-8-16)18(28-17-4-3-9-22-14-17)23-20(27)25-12-10-21-11-13-25/h3-9,14,18,21H,10-13H2,1-2H3,(H,23,27).
What are the key properties of N-[[4-(dimethylcarbamoyl)phenyl]-pyridin-3-yloxymethyl]piperazine-1-carboxamide?
N-[[4-(dimethylcarbamoyl)phenyl]-pyridin-3-yloxymethyl]piperazine-1-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylcarbamoyl)phenyl]-pyridin-3-yloxymethyl]piperazine-1-carboxamide is sourced from PubChem (CID 140578105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).