4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide

C15H17N3O2 — CID 104782485

IUPAC4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide
SMILESCOc1cc(C(=O)NCCc2cccnc2)ccc1N
InChIInChI=1S/C15H17N3O2/c1-20-14-9-12(4-5-13(14)16)15(19)18-8-6-11-3-2-7-17-10-11/h2-5,7,9-10H,6,8,16H2,1H3,(H,18,19)
InChIKeyWHJZNUGHUFHUBH-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.64
Rot. Bonds5

About 4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide

4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide (PubChem CID 104782485) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide
PubChem CID104782485
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide
SMILESCOc1cc(C(=O)NCCc2cccnc2)ccc1N
InChIInChI=1S/C15H17N3O2/c1-20-14-9-12(4-5-13(14)16)15(19)18-8-6-11-3-2-7-17-10-11/h2-5,7,9-10H,6,8,16H2,1H3,(H,18,19)
InChIKeyWHJZNUGHUFHUBH-UHFFFAOYSA-N
XLogP1.64
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
4-amino-N-[2-(4-chlorophenyl)ethyl]-3-methoxybenzamide
CID 104782528
3-bromo-4-methoxy-N-(3-pyridin-3-ylpropyl)benzamide
CID 110607078
6-(2-methoxypyrimidin-5-yl)-N-(2-pyridin-3-ylethyl)naphthalene-2-carboxamide
CID 172656290
2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 112530316
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
3-(aminomethyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 60895534
4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 67386076
N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24661254
4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide
CID 63185192
2-bromo-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 103752224
3-methyl-4-(methylamino)-N-(2-pyridin-3-ylethyl)benzamide
CID 63210322

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide?
The IUPAC name of 4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide (CID 104782485) is 4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide is COc1cc(C(=O)NCCc2cccnc2)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide?
The InChIKey is WHJZNUGHUFHUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-14-9-12(4-5-13(14)16)15(19)18-8-6-11-3-2-7-17-10-11/h2-5,7,9-10H,6,8,16H2,1H3,(H,18,19).
What are the key properties of 4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide?
4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide has a molecular weight of 271.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 104782485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).