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

C24H21N3O3 — CID 109169297

IUPACN-(furan-2-ylmethyl)-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide
SMILESO=C(NCc1ccco1)c1ccnc(Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C24H21N3O3/c28-24(26-16-22-7-4-14-29-22)19-12-13-25-23(15-19)27-20-8-10-21(11-9-20)30-17-18-5-2-1-3-6-18/h1-15H,16-17H2,(H,25,27)(H,26,28)
InChIKeyHGSMLRCJCMHGQE-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.93
Rot. Bonds8

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

N-(furan-2-ylmethyl)-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide (PubChem CID 109169297) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide
PubChem CID109169297
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-(furan-2-ylmethyl)-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide
SMILESO=C(NCc1ccco1)c1ccnc(Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C24H21N3O3/c28-24(26-16-22-7-4-14-29-22)19-12-13-25-23(15-19)27-20-8-10-21(11-9-20)30-17-18-5-2-1-3-6-18/h1-15H,16-17H2,(H,25,27)(H,26,28)
InChIKeyHGSMLRCJCMHGQE-UHFFFAOYSA-N
XLogP4.93
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide
CID 109155454
N-butyl-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide
CID 109165508
N-(furan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide
CID 109169290
2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-4-carboxamide
CID 109169271
N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide
CID 4546936
2-(2,4-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-4-carboxamide
CID 109169277
N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide
CID 109169454
2-N-(4-ethoxyphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085098
4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109085096
N-(furan-2-ylmethyl)-2-(propylamino)pyridine-4-carboxamide
CID 62172710
N-(furan-2-ylmethyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109169233
N-(furan-2-ylmethyl)-3-[[3-(hydroxymethyl)phenoxy]methyl]benzamide
CID 111770257

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide (CID 109169297) is N-(furan-2-ylmethyl)-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide is O=C(NCc1ccco1)c1ccnc(Nc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide?
The InChIKey is HGSMLRCJCMHGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-24(26-16-22-7-4-14-29-22)19-12-13-25-23(15-19)27-20-8-10-21(11-9-20)30-17-18-5-2-1-3-6-18/h1-15H,16-17H2,(H,25,27)(H,26,28).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide?
N-(furan-2-ylmethyl)-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109169297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).