4-(4-acetamidoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide

C19H18N4O3 — CID 109209396

IUPAC4-(4-acetamidoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ccnc(C(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C19H18N4O3/c1-13(24)22-14-4-6-15(7-5-14)23-16-8-9-20-18(11-16)19(25)21-12-17-3-2-10-26-17/h2-11H,12H2,1H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeyXRRHWAYXSLRSIM-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.31
Rot. Bonds6

About 4-(4-acetamidoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide

4-(4-acetamidoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109209396) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-(4-acetamidoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-acetamidoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109209396
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name4-(4-acetamidoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ccnc(C(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C19H18N4O3/c1-13(24)22-14-4-6-15(7-5-14)23-16-8-9-20-18(11-16)19(25)21-12-17-3-2-10-26-17/h2-11H,12H2,1H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeyXRRHWAYXSLRSIM-UHFFFAOYSA-N
XLogP3.31
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209444
4-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209418
N-(furan-2-ylmethyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109209341
4-N-(4-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085243
4-(3-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209439
4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211464
2-N-(4-acetylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085109
4-(4-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212022
N-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109209563
4-[2-(dimethylamino)ethylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109207271
3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054046
4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109085096

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-acetamidoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide (CID 109209396) is 4-(4-acetamidoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-acetamidoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-acetamidoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide is CC(=O)Nc1ccc(Nc2ccnc(C(=O)NCc3ccco3)c2)cc1.
What is the InChIKey of 4-(4-acetamidoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is XRRHWAYXSLRSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-13(24)22-14-4-6-15(7-5-14)23-16-8-9-20-18(11-16)19(25)21-12-17-3-2-10-26-17/h2-11H,12H2,1H3,(H,20,23)(H,21,25)(H,22,24).
What are the key properties of 4-(4-acetamidoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
4-(4-acetamidoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109209396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).