2-N-(furan-2-ylmethyl)-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide

C21H21N3O4 — CID 109097171

IUPAC2-N-(furan-2-ylmethyl)-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cccc(C(=O)NCc3ccco3)n2)cc1
InChIInChI=1S/C21H21N3O4/c1-14(2)28-16-10-8-15(9-11-16)23-21(26)19-7-3-6-18(24-19)20(25)22-13-17-5-4-12-27-17/h3-12,14H,13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyIBADQBNJPIHWMJ-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.64
Rot. Bonds7

About 2-N-(furan-2-ylmethyl)-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide

2-N-(furan-2-ylmethyl)-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide (PubChem CID 109097171) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-N-(furan-2-ylmethyl)-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-(furan-2-ylmethyl)-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
PubChem CID109097171
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2-N-(furan-2-ylmethyl)-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cccc(C(=O)NCc3ccco3)n2)cc1
InChIInChI=1S/C21H21N3O4/c1-14(2)28-16-10-8-15(9-11-16)23-21(26)19-7-3-6-18(24-19)20(25)22-13-17-5-4-12-27-17/h3-12,14H,13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyIBADQBNJPIHWMJ-UHFFFAOYSA-N
XLogP3.64
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[4-(dimethylamino)phenyl]-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097185
4-(furan-2-ylmethylamino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109209555
N-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109346404
6-N-(3-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097178
4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109085096
6-N-(furan-2-ylmethyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide
CID 109097100
5-(furan-2-ylmethylamino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109231569
6-N-benzyl-2-N-(furan-2-ylmethyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109097118
N-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 119128983
2-N-(4-ethoxyphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085098
6-N-butyl-6-N-methyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109099577
N-[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55589199

Frequently Asked Questions

What is the IUPAC name of 2-N-(furan-2-ylmethyl)-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-(furan-2-ylmethyl)-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide (CID 109097171) is 2-N-(furan-2-ylmethyl)-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-(furan-2-ylmethyl)-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-(furan-2-ylmethyl)-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide is CC(C)Oc1ccc(NC(=O)c2cccc(C(=O)NCc3ccco3)n2)cc1.
What is the InChIKey of 2-N-(furan-2-ylmethyl)-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide?
The InChIKey is IBADQBNJPIHWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14(2)28-16-10-8-15(9-11-16)23-21(26)19-7-3-6-18(24-19)20(25)22-13-17-5-4-12-27-17/h3-12,14H,13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2-N-(furan-2-ylmethyl)-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide?
2-N-(furan-2-ylmethyl)-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide has a molecular weight of 379.42 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(furan-2-ylmethyl)-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109097171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).