N,2,5-trimethyl-N-(2-phenoxyethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide

C22H25N3O2 — CID 78864099

IUPACN,2,5-trimethyl-N-(2-phenoxyethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CCOc2ccccc2)c(C)n1Cc1ccccn1
InChIInChI=1S/C22H25N3O2/c1-17-15-21(18(2)25(17)16-19-9-7-8-12-23-19)22(26)24(3)13-14-27-20-10-5-4-6-11-20/h4-12,15H,13-14,16H2,1-3H3
InChIKeyRHNUXVZQDLKGIW-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.70
Rot. Bonds7

About N,2,5-trimethyl-N-(2-phenoxyethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide

N,2,5-trimethyl-N-(2-phenoxyethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 78864099) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N,2,5-trimethyl-N-(2-phenoxyethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN,2,5-trimethyl-N-(2-phenoxyethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID78864099
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN,2,5-trimethyl-N-(2-phenoxyethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CCOc2ccccc2)c(C)n1Cc1ccccn1
InChIInChI=1S/C22H25N3O2/c1-17-15-21(18(2)25(17)16-19-9-7-8-12-23-19)22(26)24(3)13-14-27-20-10-5-4-6-11-20/h4-12,15H,13-14,16H2,1-3H3
InChIKeyRHNUXVZQDLKGIW-UHFFFAOYSA-N
XLogP3.70
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-(2-phenoxyethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of N,2,5-trimethyl-N-(2-phenoxyethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (CID 78864099) is N,2,5-trimethyl-N-(2-phenoxyethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N,2,5-trimethyl-N-(2-phenoxyethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for N,2,5-trimethyl-N-(2-phenoxyethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)N(C)CCOc2ccccc2)c(C)n1Cc1ccccn1.
What is the InChIKey of N,2,5-trimethyl-N-(2-phenoxyethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is RHNUXVZQDLKGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-17-15-21(18(2)25(17)16-19-9-7-8-12-23-19)22(26)24(3)13-14-27-20-10-5-4-6-11-20/h4-12,15H,13-14,16H2,1-3H3.
What are the key properties of N,2,5-trimethyl-N-(2-phenoxyethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
N,2,5-trimethyl-N-(2-phenoxyethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-(2-phenoxyethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 78864099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).