N-(furan-2-ylmethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide

C24H21N3O3 — CID 109155454

IUPACN-(furan-2-ylmethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(Nc2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C24H21N3O3/c28-24(26-16-22-7-4-14-29-22)19-8-13-23(25-15-19)27-20-9-11-21(12-10-20)30-17-18-5-2-1-3-6-18/h1-15H,16-17H2,(H,25,27)(H,26,28)
InChIKeyWSCXFYYQZFCIMB-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.93
Rot. Bonds8

About N-(furan-2-ylmethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide

N-(furan-2-ylmethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide (PubChem CID 109155454) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide
PubChem CID109155454
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-(furan-2-ylmethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(Nc2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C24H21N3O3/c28-24(26-16-22-7-4-14-29-22)19-8-13-23(25-15-19)27-20-9-11-21(12-10-20)30-17-18-5-2-1-3-6-18/h1-15H,16-17H2,(H,25,27)(H,26,28)
InChIKeyWSCXFYYQZFCIMB-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)-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide
CID 109169297
6-(4-phenylmethoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 1447980
N-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide
CID 1441278
6-[4-chloro-3-(trifluoromethyl)anilino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109155464
N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide
CID 4546936
N-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide
CID 109155602
2-(4-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109254991
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(furan-2-ylmethyl)urea
CID 108988736
N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)benzamide
CID 15943207
N-(furan-2-ylmethyl)-4-phenylmethoxynaphthalene-2-carboxamide
CID 162674987
N-[(2-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109156873
N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109157012

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide (CID 109155454) is N-(furan-2-ylmethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide is O=C(NCc1ccco1)c1ccc(Nc2ccc(OCc3ccccc3)cc2)nc1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide?
The InChIKey is WSCXFYYQZFCIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-24(26-16-22-7-4-14-29-22)19-8-13-23(25-15-19)27-20-9-11-21(12-10-20)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)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide?
N-(furan-2-ylmethyl)-6-(4-phenylmethoxyanilino)pyridine-3-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)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109155454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).