N-phenyl-5,6-bis(phenylmethoxy)pyridine-3-carboxamide

C26H22N2O3 — CID 102461442

IUPACN-phenyl-5,6-bis(phenylmethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C26H22N2O3/c29-25(28-23-14-8-3-9-15-23)22-16-24(30-18-20-10-4-1-5-11-20)26(27-17-22)31-19-21-12-6-2-7-13-21/h1-17H,18-19H2,(H,28,29)
InChIKeyQVVSXUQGOPIRFQ-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.49
Rot. Bonds8

About N-phenyl-5,6-bis(phenylmethoxy)pyridine-3-carboxamide

N-phenyl-5,6-bis(phenylmethoxy)pyridine-3-carboxamide (PubChem CID 102461442) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-phenyl-5,6-bis(phenylmethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-5,6-bis(phenylmethoxy)pyridine-3-carboxamide
PubChem CID102461442
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC NameN-phenyl-5,6-bis(phenylmethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C26H22N2O3/c29-25(28-23-14-8-3-9-15-23)22-16-24(30-18-20-10-4-1-5-11-20)26(27-17-22)31-19-21-12-6-2-7-13-21/h1-17H,18-19H2,(H,28,29)
InChIKeyQVVSXUQGOPIRFQ-UHFFFAOYSA-N
XLogP5.49
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5161412
5-[(4-ethoxyphenyl)carbamoyl]-3-phenylmethoxypyridine-2-carboxylic acid
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N-(4-benzamido-3-phenylmethoxyphenyl)benzamide
CID 5314877
N-[4-(phenoxymethyl)phenyl]benzamide
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N-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide
CID 122498346
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide
CID 155154021
N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 139779423
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514
3-[(2-chloro-4-nitrophenoxy)methyl]-N-phenylbenzamide
CID 52688047
4-[(2-chloro-4-cyanophenoxy)methyl]-N-phenylbenzamide
CID 8977230
3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide
CID 126086097
N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide
CID 112988913

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5,6-bis(phenylmethoxy)pyridine-3-carboxamide?
The IUPAC name of N-phenyl-5,6-bis(phenylmethoxy)pyridine-3-carboxamide (CID 102461442) is N-phenyl-5,6-bis(phenylmethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-phenyl-5,6-bis(phenylmethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-phenyl-5,6-bis(phenylmethoxy)pyridine-3-carboxamide is O=C(Nc1ccccc1)c1cnc(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of N-phenyl-5,6-bis(phenylmethoxy)pyridine-3-carboxamide?
The InChIKey is QVVSXUQGOPIRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c29-25(28-23-14-8-3-9-15-23)22-16-24(30-18-20-10-4-1-5-11-20)26(27-17-22)31-19-21-12-6-2-7-13-21/h1-17H,18-19H2,(H,28,29).
What are the key properties of N-phenyl-5,6-bis(phenylmethoxy)pyridine-3-carboxamide?
N-phenyl-5,6-bis(phenylmethoxy)pyridine-3-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5,6-bis(phenylmethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 102461442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).