N-phenylmethoxy-2-(pyridin-3-ylmethylamino)benzamide

C20H19N3O2 — CID 87281732

IUPACN-phenylmethoxy-2-(pyridin-3-ylmethylamino)benzamide
SMILESO=C(NOCc1ccccc1)c1ccccc1NCc1cccnc1
InChIInChI=1S/C20H19N3O2/c24-20(23-25-15-16-7-2-1-3-8-16)18-10-4-5-11-19(18)22-14-17-9-6-12-21-13-17/h1-13,22H,14-15H2,(H,23,24)
InChIKeyBBCSMHQVCJPFAM-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.56
Rot. Bonds7

About N-phenylmethoxy-2-(pyridin-3-ylmethylamino)benzamide

N-phenylmethoxy-2-(pyridin-3-ylmethylamino)benzamide (PubChem CID 87281732) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-phenylmethoxy-2-(pyridin-3-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-phenylmethoxy-2-(pyridin-3-ylmethylamino)benzamide
PubChem CID87281732
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-phenylmethoxy-2-(pyridin-3-ylmethylamino)benzamide
SMILESO=C(NOCc1ccccc1)c1ccccc1NCc1cccnc1
InChIInChI=1S/C20H19N3O2/c24-20(23-25-15-16-7-2-1-3-8-16)18-10-4-5-11-19(18)22-14-17-9-6-12-21-13-17/h1-13,22H,14-15H2,(H,23,24)
InChIKeyBBCSMHQVCJPFAM-UHFFFAOYSA-N
XLogP3.56
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.56
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

2-(pyridin-3-ylmethylamino)benzoic acid;dihydrochloride
CID 17059960
N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 11244953
N-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide
CID 87281885
N-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 143056719
methyl 2-fluoro-5-[[2-(phenylmethoxycarbamoyl)anilino]methyl]benzoate
CID 58989778
2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986089
N-[(1-benzyltriazol-4-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 87281910
N-[(4-pentoxyphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 58989953
2-(pyridin-4-ylmethylamino)-N-(1,3-thiazol-4-ylmethoxy)benzamide
CID 11739316
N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 58989819
N-[1-(furan-2-yl)-2-hydroxyethyl]-2-(pyridin-3-ylmethylamino)benzamide
CID 110004108
2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 22184587

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-2-(pyridin-3-ylmethylamino)benzamide?
The IUPAC name of N-phenylmethoxy-2-(pyridin-3-ylmethylamino)benzamide (CID 87281732) is N-phenylmethoxy-2-(pyridin-3-ylmethylamino)benzamide.
What is the SMILES notation for N-phenylmethoxy-2-(pyridin-3-ylmethylamino)benzamide?
The canonical SMILES for N-phenylmethoxy-2-(pyridin-3-ylmethylamino)benzamide is O=C(NOCc1ccccc1)c1ccccc1NCc1cccnc1.
What is the InChIKey of N-phenylmethoxy-2-(pyridin-3-ylmethylamino)benzamide?
The InChIKey is BBCSMHQVCJPFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(23-25-15-16-7-2-1-3-8-16)18-10-4-5-11-19(18)22-14-17-9-6-12-21-13-17/h1-13,22H,14-15H2,(H,23,24).
What are the key properties of N-phenylmethoxy-2-(pyridin-3-ylmethylamino)benzamide?
N-phenylmethoxy-2-(pyridin-3-ylmethylamino)benzamide has a molecular weight of 333.39 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-2-(pyridin-3-ylmethylamino)benzamide is sourced from PubChem (CID 87281732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).