N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide

C23H22N2O3 — CID 102557207

IUPACN-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide
SMILESO=C(Nc1ccnc(Oc2ccccc2)c1)C1CCCOC1c1ccccc1
InChIInChI=1S/C23H22N2O3/c26-23(20-12-7-15-27-22(20)17-8-3-1-4-9-17)25-18-13-14-24-21(16-18)28-19-10-5-2-6-11-19/h1-6,8-11,13-14,16,20,22H,7,12,15H2,(H,24,25,26)
InChIKeyXPCLATSMQPAENO-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.98
Rot. Bonds5

About N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide

N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide (PubChem CID 102557207) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide
PubChem CID102557207
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide
SMILESO=C(Nc1ccnc(Oc2ccccc2)c1)C1CCCOC1c1ccccc1
InChIInChI=1S/C23H22N2O3/c26-23(20-12-7-15-27-22(20)17-8-3-1-4-9-17)25-18-13-14-24-21(16-18)28-19-10-5-2-6-11-19/h1-6,8-11,13-14,16,20,22H,7,12,15H2,(H,24,25,26)
InChIKeyXPCLATSMQPAENO-UHFFFAOYSA-N
XLogP4.98
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide
CID 99808041
(2S,3R)-N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide
CID 99808039
3-[4-[(2-phenyloxane-3-carbonyl)amino]phenyl]propanoic acid
CID 119252582
2-phenoxy-N-phenylpyridine-4-carboxamide
CID 19093380
2-methyl-5-[[2-(4-methylphenyl)oxane-3-carbonyl]amino]benzoic acid
CID 119255380
2-phenoxypyridine-4-carboxylic acid
CID 21494431
5-[(2-phenyloxane-3-carbonyl)amino]pentanoic acid
CID 119235243
3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120550074
trans-(1R,2R)-2-phenyl-N-(3-pyridazin-3-yloxyphenyl)cyclopropane-1-carboxamide
CID 166194550
(1S,2S,4S)-N-(3-pyrazin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98752390
4-(oxiran-2-yl)-2-phenoxypyridine
CID 87452152
3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119884835

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide?
The IUPAC name of N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide (CID 102557207) is N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide.
What is the SMILES notation for N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide?
The canonical SMILES for N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide is O=C(Nc1ccnc(Oc2ccccc2)c1)C1CCCOC1c1ccccc1.
What is the InChIKey of N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide?
The InChIKey is XPCLATSMQPAENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-23(20-12-7-15-27-22(20)17-8-3-1-4-9-17)25-18-13-14-24-21(16-18)28-19-10-5-2-6-11-19/h1-6,8-11,13-14,16,20,22H,7,12,15H2,(H,24,25,26).
What are the key properties of N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide?
N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide is sourced from PubChem (CID 102557207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).