N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide

C21H21N3O2 — CID 11244953

IUPACN-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
SMILESCc1ccc(CONC(=O)c2ccccc2NCc2ccncc2)cc1
InChIInChI=1S/C21H21N3O2/c1-16-6-8-18(9-7-16)15-26-24-21(25)19-4-2-3-5-20(19)23-14-17-10-12-22-13-11-17/h2-13,23H,14-15H2,1H3,(H,24,25)
InChIKeySKPKHULEYDAHAX-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.86
Rot. Bonds7

About N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide

N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide (PubChem CID 11244953) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
PubChem CID11244953
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
SMILESCc1ccc(CONC(=O)c2ccccc2NCc2ccncc2)cc1
InChIInChI=1S/C21H21N3O2/c1-16-6-8-18(9-7-16)15-26-24-21(25)19-4-2-3-5-20(19)23-14-17-10-12-22-13-11-17/h2-13,23H,14-15H2,1H3,(H,24,25)
InChIKeySKPKHULEYDAHAX-UHFFFAOYSA-N
XLogP3.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 143056719
N-[(4-pentoxyphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 58989953
N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 58989819
2-(pyridin-4-ylmethylamino)-N-(1,3-thiazol-4-ylmethoxy)benzamide
CID 11739316
N-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide
CID 87281885
N-phenylmethoxy-2-(pyridin-3-ylmethylamino)benzamide
CID 87281732
N-hexoxy-2-(pyridin-4-ylmethylamino)benzamide
CID 91261880
N-[[4-(1-morpholin-4-ylethenyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 88918465
2-(pyridin-4-ylmethylamino)-N-[[2-(trifluoromethylsulfanyl)phenyl]methoxy]benzamide
CID 58989986
N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 11151978
N-pent-2-en-3-yloxy-2-(pyridin-4-ylmethylamino)benzamide
CID 91322862
N-[(1-benzyltriazol-4-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 87281910

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide?
The IUPAC name of N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide (CID 11244953) is N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide?
The canonical SMILES for N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide is Cc1ccc(CONC(=O)c2ccccc2NCc2ccncc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide?
The InChIKey is SKPKHULEYDAHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-16-6-8-18(9-7-16)15-26-24-21(25)19-4-2-3-5-20(19)23-14-17-10-12-22-13-11-17/h2-13,23H,14-15H2,1H3,(H,24,25).
What are the key properties of N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide?
N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide has a molecular weight of 347.42 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide is sourced from PubChem (CID 11244953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).