N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide

C22H25N3O3 — CID 97003423

IUPACN-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)c2cc(C)n(-c3cccnc3)c2C)c(OC)c1
InChIInChI=1S/C22H25N3O3/c1-14-11-20(16(3)25(14)17-7-6-10-23-13-17)22(26)24-15(2)19-9-8-18(27-4)12-21(19)28-5/h6-13,15H,1-5H3,(H,24,26)/t15-/m0/s1
InChIKeyKXVHYKRDZQHWHI-HNNXBMFYSA-N
MW379.46 g/mol
LogP4.00
Rot. Bonds6

About N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide

N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide (PubChem CID 97003423) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
PubChem CID97003423
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)c2cc(C)n(-c3cccnc3)c2C)c(OC)c1
InChIInChI=1S/C22H25N3O3/c1-14-11-20(16(3)25(14)17-7-6-10-23-13-17)22(26)24-15(2)19-9-8-18(27-4)12-21(19)28-5/h6-13,15H,1-5H3,(H,24,26)/t15-/m0/s1
InChIKeyKXVHYKRDZQHWHI-HNNXBMFYSA-N
XLogP4.00
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
CID 95591999
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-ethoxypyridine-3-carboxamide
CID 134053639
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
CID 98785915
N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 60968183
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 134053802
2,6-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 86846897
2,5-dimethyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1-pyridin-3-ylpyrrole-3-carboxamide
CID 55971773
N-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 63047661
methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate
CID 94045094
6-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 134053626
N-[1-(2,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide
CID 51128012
N-[(Z)-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 6045564

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide (CID 97003423) is N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide is COc1ccc([C@H](C)NC(=O)c2cc(C)n(-c3cccnc3)c2C)c(OC)c1.
What is the InChIKey of N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide?
The InChIKey is KXVHYKRDZQHWHI-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14-11-20(16(3)25(14)17-7-6-10-23-13-17)22(26)24-15(2)19-9-8-18(27-4)12-21(19)28-5/h6-13,15H,1-5H3,(H,24,26)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide?
N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide is sourced from PubChem (CID 97003423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).