1-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide

C17H17N3O2 — CID 71819739

IUPAC1-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(-c3ccncc3)cn2C)o1
InChIInChI=1S/C17H17N3O2/c1-12-3-4-15(22-12)10-19-17(21)16-9-14(11-20(16)2)13-5-7-18-8-6-13/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyOCMDDIRLLKGJHT-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.92
Rot. Bonds4

About 1-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide

1-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide (PubChem CID 71819739) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide
PubChem CID71819739
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(-c3ccncc3)cn2C)o1
InChIInChI=1S/C17H17N3O2/c1-12-3-4-15(22-12)10-19-17(21)16-9-14(11-20(16)2)13-5-7-18-8-6-13/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyOCMDDIRLLKGJHT-UHFFFAOYSA-N
XLogP2.92
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 131933266
N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71841020
N-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159736
N-[(3,5-difluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159740
1-methyl-N-(3-methylbutyl)-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159749
N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide
CID 53158272
4-amino-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 55081690
1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 39854570
4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 55081452
4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 43643164
5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 55256173
N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159732

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide (CID 71819739) is 1-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide is Cc1ccc(CNC(=O)c2cc(-c3ccncc3)cn2C)o1.
What is the InChIKey of 1-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide?
The InChIKey is OCMDDIRLLKGJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12-3-4-15(22-12)10-19-17(21)16-9-14(11-20(16)2)13-5-7-18-8-6-13/h3-9,11H,10H2,1-2H3,(H,19,21).
What are the key properties of 1-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide?
1-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 71819739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).