N-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide

C19H17N3O3 — CID 109209563

IUPACN-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(NCc3ccco3)ccn2)cc1
InChIInChI=1S/C19H17N3O3/c1-13(23)14-4-6-15(7-5-14)22-19(24)18-11-16(8-9-20-18)21-12-17-3-2-10-25-17/h2-11H,12H2,1H3,(H,20,21)(H,22,24)
InChIKeyJKJLKRQEHHWFFL-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.74
Rot. Bonds6

About N-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide

N-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109209563) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
PubChem CID109209563
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(NCc3ccco3)ccn2)cc1
InChIInChI=1S/C19H17N3O3/c1-13(23)14-4-6-15(7-5-14)22-19(24)18-11-16(8-9-20-18)21-12-17-3-2-10-25-17/h2-11H,12H2,1H3,(H,20,21)(H,22,24)
InChIKeyJKJLKRQEHHWFFL-UHFFFAOYSA-N
XLogP3.74
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-acetylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085109
4-(furan-2-ylmethylamino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109209555
4-N-(4-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085243
N-(4-acetylphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255161
N-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201249
4-(4-acetylanilino)-N-(4-acetylphenyl)pyridine-2-carboxamide
CID 109222150
4-(4-acetamidoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209396
N-cyclopropyl-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109201702
N-(4-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethylamino)pyridine-2-carboxamide
CID 109212473
4-(furan-2-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206035
N-[3-(dimethylamino)propyl]-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109207723
4-(furan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109209450

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide (CID 109209563) is N-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide is CC(=O)c1ccc(NC(=O)c2cc(NCc3ccco3)ccn2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is JKJLKRQEHHWFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-13(23)14-4-6-15(7-5-14)22-19(24)18-11-16(8-9-20-18)21-12-17-3-2-10-25-17/h2-11H,12H2,1H3,(H,20,21)(H,22,24).
What are the key properties of N-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide?
N-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109209563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).