3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxybenzamide

C16H19N3O2 — CID 82733532

IUPAC3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxybenzamide
SMILESCCc1cccnc1CNC(=O)c1cc(N)cc(OC)c1
InChIInChI=1S/C16H19N3O2/c1-3-11-5-4-6-18-15(11)10-19-16(20)12-7-13(17)9-14(8-12)21-2/h4-9H,3,10,17H2,1-2H3,(H,19,20)
InChIKeyMWOKSUAWOUSYMZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.16
Rot. Bonds5

About 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxybenzamide

3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxybenzamide (PubChem CID 82733532) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxybenzamide
PubChem CID82733532
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxybenzamide
SMILESCCc1cccnc1CNC(=O)c1cc(N)cc(OC)c1
InChIInChI=1S/C16H19N3O2/c1-3-11-5-4-6-18-15(11)10-19-16(20)12-7-13(17)9-14(8-12)21-2/h4-9H,3,10,17H2,1-2H3,(H,19,20)
InChIKeyMWOKSUAWOUSYMZ-UHFFFAOYSA-N
XLogP2.16
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.16
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

3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 81089949
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluoro-4-methylbenzamide
CID 82733555
3-amino-N-[(3-ethylthiophen-2-yl)methyl]-5-methoxybenzamide
CID 81092223
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104742770
2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 82738139
N-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)benzamide
CID 82743343
N-[(3-ethyl-2-pyridinyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 82739232
2-(4-aminophenoxy)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82733539
2-amino-5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 82743986
2-(ethylamino)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 82734231
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78985256

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxybenzamide?
The IUPAC name of 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxybenzamide (CID 82733532) is 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxybenzamide.
What is the SMILES notation for 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxybenzamide?
The canonical SMILES for 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxybenzamide is CCc1cccnc1CNC(=O)c1cc(N)cc(OC)c1.
What is the InChIKey of 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxybenzamide?
The InChIKey is MWOKSUAWOUSYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-11-5-4-6-18-15(11)10-19-16(20)12-7-13(17)9-14(8-12)21-2/h4-9H,3,10,17H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxybenzamide?
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxybenzamide has a molecular weight of 285.35 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxybenzamide is sourced from PubChem (CID 82733532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).