3-(2,5-dimethylpyrrol-1-yl)-N-(6-methoxy-3-pyridinyl)propanamide

C15H19N3O2 — CID 110204854

IUPAC3-(2,5-dimethylpyrrol-1-yl)-N-(6-methoxy-3-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)CCn2c(C)ccc2C)cn1
InChIInChI=1S/C15H19N3O2/c1-11-4-5-12(2)18(11)9-8-14(19)17-13-6-7-15(20-3)16-10-13/h4-7,10H,8-9H2,1-3H3,(H,17,19)
InChIKeyNKFQDNQFQCEGGB-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.54
Rot. Bonds5

About 3-(2,5-dimethylpyrrol-1-yl)-N-(6-methoxy-3-pyridinyl)propanamide

3-(2,5-dimethylpyrrol-1-yl)-N-(6-methoxy-3-pyridinyl)propanamide (PubChem CID 110204854) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrol-1-yl)-N-(6-methoxy-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrol-1-yl)-N-(6-methoxy-3-pyridinyl)propanamide
PubChem CID110204854
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(2,5-dimethylpyrrol-1-yl)-N-(6-methoxy-3-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)CCn2c(C)ccc2C)cn1
InChIInChI=1S/C15H19N3O2/c1-11-4-5-12(2)18(11)9-8-14(19)17-13-6-7-15(20-3)16-10-13/h4-7,10H,8-9H2,1-3H3,(H,17,19)
InChIKeyNKFQDNQFQCEGGB-UHFFFAOYSA-N
XLogP2.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(6-methoxy-3-pyridinyl)propanamide
CID 47096905
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
N-(6-methoxy-3-pyridinyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 8892342
3-(2-aminoethoxy)-N-(6-methoxy-3-pyridinyl)propanamide
CID 112738961
2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 75489853
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794
2-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)acetamide
CID 60688381
N-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689025
(3Z)-3-amino-3-hydroxyimino-N-(6-methoxy-3-pyridinyl)propanamide
CID 43156078
N-(6-methoxy-3-pyridinyl)-2-phenylsulfanylacetamide
CID 2486887
2-(3,5-dimethylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
CID 7478526
3-(4-tert-butylphenoxy)-N-(6-methoxy-3-pyridinyl)propanamide
CID 18289170

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-N-(6-methoxy-3-pyridinyl)propanamide?
The IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-N-(6-methoxy-3-pyridinyl)propanamide (CID 110204854) is 3-(2,5-dimethylpyrrol-1-yl)-N-(6-methoxy-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(2,5-dimethylpyrrol-1-yl)-N-(6-methoxy-3-pyridinyl)propanamide?
The canonical SMILES for 3-(2,5-dimethylpyrrol-1-yl)-N-(6-methoxy-3-pyridinyl)propanamide is COc1ccc(NC(=O)CCn2c(C)ccc2C)cn1.
What is the InChIKey of 3-(2,5-dimethylpyrrol-1-yl)-N-(6-methoxy-3-pyridinyl)propanamide?
The InChIKey is NKFQDNQFQCEGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-4-5-12(2)18(11)9-8-14(19)17-13-6-7-15(20-3)16-10-13/h4-7,10H,8-9H2,1-3H3,(H,17,19).
What are the key properties of 3-(2,5-dimethylpyrrol-1-yl)-N-(6-methoxy-3-pyridinyl)propanamide?
3-(2,5-dimethylpyrrol-1-yl)-N-(6-methoxy-3-pyridinyl)propanamide has a molecular weight of 273.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrrol-1-yl)-N-(6-methoxy-3-pyridinyl)propanamide is sourced from PubChem (CID 110204854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).