(3-phenylmethoxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone

C22H22N2O2 — CID 139998211

IUPAC(3-phenylmethoxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone
SMILESCC(C)Nc1ncccc1C(=O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C22H22N2O2/c1-16(2)24-22-20(12-7-13-23-22)21(25)18-10-6-11-19(14-18)26-15-17-8-4-3-5-9-17/h3-14,16H,15H2,1-2H3,(H,23,24)
InChIKeyNPSXWKMYHJIASW-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.71
Rot. Bonds7

About (3-phenylmethoxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone

(3-phenylmethoxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone (PubChem CID 139998211) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is (3-phenylmethoxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-phenylmethoxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone
PubChem CID139998211
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name(3-phenylmethoxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone
SMILESCC(C)Nc1ncccc1C(=O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C22H22N2O2/c1-16(2)24-22-20(12-7-13-23-22)21(25)18-10-6-11-19(14-18)26-15-17-8-4-3-5-9-17/h3-14,16H,15H2,1-2H3,(H,23,24)
InChIKeyNPSXWKMYHJIASW-UHFFFAOYSA-N
XLogP4.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-phenylmethoxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone 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

(3-butan-2-yloxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 139998176
[3-[(3-methoxyphenyl)methoxy]phenyl]-[2-(methylamino)-3-pyridinyl]methanone
CID 139998031
(2-aminophenyl)-(3-phenylmethoxyphenyl)methanone
CID 14903626
[2-(ethylamino)-3-pyridinyl]-[3-(2-methylpropoxy)phenyl]methanone
CID 139998143
(2-bromo-3-pyridinyl)-[3-[(4-methylphenyl)methoxy]phenyl]methanone
CID 139998037
N-[2-(methylamino)propyl]-3-phenylmethoxybenzamide
CID 120833158
N-(3-hydroxybutyl)-3-phenylmethoxybenzamide
CID 111433563
2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 70190872
2-methyl-N'-(3-phenylmethoxybenzoyl)benzohydrazide
CID 46520493
[2-(ethylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 139998155
N-(3-aminobutyl)-3-phenylmethoxybenzamide;hydrochloride
CID 119497996
[2-(hexylamino)-3-pyridinyl]-(3-propan-2-yloxyphenyl)methanone
CID 139998195

Frequently Asked Questions

What is the IUPAC name of (3-phenylmethoxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone?
The IUPAC name of (3-phenylmethoxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone (CID 139998211) is (3-phenylmethoxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (3-phenylmethoxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone?
The canonical SMILES for (3-phenylmethoxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone is CC(C)Nc1ncccc1C(=O)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of (3-phenylmethoxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone?
The InChIKey is NPSXWKMYHJIASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-16(2)24-22-20(12-7-13-23-22)21(25)18-10-6-11-19(14-18)26-15-17-8-4-3-5-9-17/h3-14,16H,15H2,1-2H3,(H,23,24).
What are the key properties of (3-phenylmethoxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone?
(3-phenylmethoxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone has a molecular weight of 346.43 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylmethoxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 139998211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).