N-(4-methoxyphenyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide

C20H21N3O2 — CID 53159829

IUPACN-(4-methoxyphenyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCCCn1cc(-c2ccncc2)cc1C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C20H21N3O2/c1-3-12-23-14-16(15-8-10-21-11-9-15)13-19(23)20(24)22-17-4-6-18(25-2)7-5-17/h4-11,13-14H,3,12H2,1-2H3,(H,22,24)
InChIKeyQBBWCZYQIBAZJK-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.22
Rot. Bonds6

About N-(4-methoxyphenyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide

N-(4-methoxyphenyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide (PubChem CID 53159829) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
PubChem CID53159829
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(4-methoxyphenyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCCCn1cc(-c2ccncc2)cc1C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C20H21N3O2/c1-3-12-23-14-16(15-8-10-21-11-9-15)13-19(23)20(24)22-17-4-6-18(25-2)7-5-17/h4-11,13-14H,3,12H2,1-2H3,(H,22,24)
InChIKeyQBBWCZYQIBAZJK-UHFFFAOYSA-N
XLogP4.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71840926
4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide
CID 43641190
N-(4-acetamidophenyl)-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71841015
(4-methylpiperazin-1-yl)-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone
CID 71840944
N-(4-methoxyphenyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 58692594
N-[1-(4-methoxyphenyl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159767
4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43410991
N-(1,3-benzodioxol-5-ylmethyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159839
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone
CID 71840931
N-(4-methoxyphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1150544
5-N-(4-methoxyphenyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106154
4-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 79234677

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide (CID 53159829) is N-(4-methoxyphenyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide is CCCn1cc(-c2ccncc2)cc1C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The InChIKey is QBBWCZYQIBAZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-12-23-14-16(15-8-10-21-11-9-15)13-19(23)20(24)22-17-4-6-18(25-2)7-5-17/h4-11,13-14H,3,12H2,1-2H3,(H,22,24).
What are the key properties of N-(4-methoxyphenyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide?
N-(4-methoxyphenyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 53159829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).