4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide

C19H17N3O2 — CID 122516208

IUPAC4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide
SMILESNCc1ccnc(Oc2ccc(C(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C19H17N3O2/c20-13-14-10-11-21-18(12-14)24-17-8-6-15(7-9-17)19(23)22-16-4-2-1-3-5-16/h1-12H,13,20H2,(H,22,23)
InChIKeyMMVQJHXOWFTQPV-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.58
Rot. Bonds5

About 4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide

4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide (PubChem CID 122516208) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide
PubChem CID122516208
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide
SMILESNCc1ccnc(Oc2ccc(C(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C19H17N3O2/c20-13-14-10-11-21-18(12-14)24-17-8-6-15(7-9-17)19(23)22-16-4-2-1-3-5-16/h1-12H,13,20H2,(H,22,23)
InChIKeyMMVQJHXOWFTQPV-UHFFFAOYSA-N
XLogP3.58
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide?
The IUPAC name of 4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide (CID 122516208) is 4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide.
What is the SMILES notation for 4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide?
The canonical SMILES for 4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide is NCc1ccnc(Oc2ccc(C(=O)Nc3ccccc3)cc2)c1.
What is the InChIKey of 4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide?
The InChIKey is MMVQJHXOWFTQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c20-13-14-10-11-21-18(12-14)24-17-8-6-15(7-9-17)19(23)22-16-4-2-1-3-5-16/h1-12H,13,20H2,(H,22,23).
What are the key properties of 4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide?
4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide has a molecular weight of 319.36 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylbenzamide is sourced from PubChem (CID 122516208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).