N-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide

C27H25N3O2 — CID 1441278

IUPACN-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(Nc2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C27H25N3O2/c31-27(28-18-17-21-7-3-1-4-8-21)23-11-16-26(29-19-23)30-24-12-14-25(15-13-24)32-20-22-9-5-2-6-10-22/h1-16,19H,17-18,20H2,(H,28,31)(H,29,30)
InChIKeyGTOOBADXBDFWEG-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.38
Rot. Bonds9

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

N-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide (PubChem CID 1441278) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide
PubChem CID1441278
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC NameN-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(Nc2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C27H25N3O2/c31-27(28-18-17-21-7-3-1-4-8-21)23-11-16-26(29-19-23)30-24-12-14-25(15-13-24)32-20-22-9-5-2-6-10-22/h1-16,19H,17-18,20H2,(H,28,31)(H,29,30)
InChIKeyGTOOBADXBDFWEG-UHFFFAOYSA-N
XLogP5.38
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1441265
6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158309
6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158344
N-(furan-2-ylmethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide
CID 109155454
6-(4-phenylmethoxyanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 1447980
methyl 4-[[5-(3-phenylpropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109160864
6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160841
6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
CID 109159783
N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764076
N-(3-methoxypropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
CID 109251815
6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160850
N-[2-(3-chlorophenyl)ethyl]-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109161981

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide (CID 1441278) is N-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide is O=C(NCCc1ccccc1)c1ccc(Nc2ccc(OCc3ccccc3)cc2)nc1.
What is the InChIKey of N-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide?
The InChIKey is GTOOBADXBDFWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c31-27(28-18-17-21-7-3-1-4-8-21)23-11-16-26(29-19-23)30-24-12-14-25(15-13-24)32-20-22-9-5-2-6-10-22/h1-16,19H,17-18,20H2,(H,28,31)(H,29,30).
What are the key properties of N-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide?
N-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 5.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 1441278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).