N-(4-amino-2-phenylmethoxyphenyl)-2-phenylmethoxypyridine-3-carboxamide

C26H23N3O3 — CID 21104163

IUPACN-(4-amino-2-phenylmethoxyphenyl)-2-phenylmethoxypyridine-3-carboxamide
SMILESNc1ccc(NC(=O)c2cccnc2OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C26H23N3O3/c27-21-13-14-23(24(16-21)31-17-19-8-3-1-4-9-19)29-25(30)22-12-7-15-28-26(22)32-18-20-10-5-2-6-11-20/h1-16H,17-18,27H2,(H,29,30)
InChIKeyWIWWYJOJKRYSJV-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.07
Rot. Bonds8

About N-(4-amino-2-phenylmethoxyphenyl)-2-phenylmethoxypyridine-3-carboxamide

N-(4-amino-2-phenylmethoxyphenyl)-2-phenylmethoxypyridine-3-carboxamide (PubChem CID 21104163) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-(4-amino-2-phenylmethoxyphenyl)-2-phenylmethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-phenylmethoxyphenyl)-2-phenylmethoxypyridine-3-carboxamide
PubChem CID21104163
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC NameN-(4-amino-2-phenylmethoxyphenyl)-2-phenylmethoxypyridine-3-carboxamide
SMILESNc1ccc(NC(=O)c2cccnc2OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C26H23N3O3/c27-21-13-14-23(24(16-21)31-17-19-8-3-1-4-9-19)29-25(30)22-12-7-15-28-26(22)32-18-20-10-5-2-6-11-20/h1-16H,17-18,27H2,(H,29,30)
InChIKeyWIWWYJOJKRYSJV-UHFFFAOYSA-N
XLogP5.07
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(2-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 59783787
3-amino-N-(2-phenylmethoxy-3-pyridinyl)pyrazine-2-carboxamide
CID 136525909
N-(4-benzamido-3-phenylmethoxyphenyl)benzamide
CID 5314877
4-(5-amino-2-benzamidophenoxy)butanoic acid
CID 59419070
2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098011
N-(2-ethoxy-3-pyridinyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34876331
N-(4-amino-2-methoxyphenyl)-2-hydroxy-3-methoxybenzamide
CID 24709358
N-(2,4-dimethoxyphenyl)-2-ethoxypyridine-3-carboxamide
CID 2110255
4-amino-N-cyclopentyl-2-phenylmethoxybenzamide
CID 146035949
2,5-dichloro-N-(4-methyl-2-phenylmethoxyphenyl)thiophene-3-carboxamide
CID 55888940
N-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide
CID 171504993
N-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide;hydrochloride
CID 171504992

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-phenylmethoxyphenyl)-2-phenylmethoxypyridine-3-carboxamide?
The IUPAC name of N-(4-amino-2-phenylmethoxyphenyl)-2-phenylmethoxypyridine-3-carboxamide (CID 21104163) is N-(4-amino-2-phenylmethoxyphenyl)-2-phenylmethoxypyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-2-phenylmethoxyphenyl)-2-phenylmethoxypyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-2-phenylmethoxyphenyl)-2-phenylmethoxypyridine-3-carboxamide is Nc1ccc(NC(=O)c2cccnc2OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of N-(4-amino-2-phenylmethoxyphenyl)-2-phenylmethoxypyridine-3-carboxamide?
The InChIKey is WIWWYJOJKRYSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c27-21-13-14-23(24(16-21)31-17-19-8-3-1-4-9-19)29-25(30)22-12-7-15-28-26(22)32-18-20-10-5-2-6-11-20/h1-16H,17-18,27H2,(H,29,30).
What are the key properties of N-(4-amino-2-phenylmethoxyphenyl)-2-phenylmethoxypyridine-3-carboxamide?
N-(4-amino-2-phenylmethoxyphenyl)-2-phenylmethoxypyridine-3-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-phenylmethoxyphenyl)-2-phenylmethoxypyridine-3-carboxamide is sourced from PubChem (CID 21104163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).