N-(4-ethoxyphenyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide

C21H23N3O2 — CID 39887261

IUPACN-(4-ethoxyphenyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(C)n(Cc3ccccn3)c2C)cc1
InChIInChI=1S/C21H23N3O2/c1-4-26-19-10-8-17(9-11-19)23-21(25)20-13-15(2)24(16(20)3)14-18-7-5-6-12-22-18/h5-13H,4,14H2,1-3H3,(H,23,25)
InChIKeyHAVYGYHUQJLKMO-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.20
Rot. Bonds6

About N-(4-ethoxyphenyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide

N-(4-ethoxyphenyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 39887261) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID39887261
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(4-ethoxyphenyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(C)n(Cc3ccccn3)c2C)cc1
InChIInChI=1S/C21H23N3O2/c1-4-26-19-10-8-17(9-11-19)23-21(25)20-13-15(2)24(16(20)3)14-18-7-5-6-12-22-18/h5-13H,4,14H2,1-3H3,(H,23,25)
InChIKeyHAVYGYHUQJLKMO-UHFFFAOYSA-N
XLogP4.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylaminomethyl)phenyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78865014
2-[[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carbonyl]amino]propanoic acid
CID 119348636
N-(4-ethoxyphenyl)-2-pyridin-2-ylacetamide
CID 110696990
N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 119996967
(2S)-2-[[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carbonyl]amino]hexanoic acid
CID 120614143
2,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78863745
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78858550
N,2,5-trimethyl-N-(2-phenoxyethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78864099
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
N-(1,2-diphenylethyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 43073082
N-[(3-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 86983262
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78871414

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (CID 39887261) is N-(4-ethoxyphenyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is CCOc1ccc(NC(=O)c2cc(C)n(Cc3ccccn3)c2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is HAVYGYHUQJLKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-26-19-10-8-17(9-11-19)23-21(25)20-13-15(2)24(16(20)3)14-18-7-5-6-12-22-18/h5-13H,4,14H2,1-3H3,(H,23,25).
What are the key properties of N-(4-ethoxyphenyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
N-(4-ethoxyphenyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 39887261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).