N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide

C17H21N3O2 — CID 113009463

IUPACN-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide
SMILESCCCCNc1ccc(NC(=O)c2cccc(OC)c2)cn1
InChIInChI=1S/C17H21N3O2/c1-3-4-10-18-16-9-8-14(12-19-16)20-17(21)13-6-5-7-15(11-13)22-2/h5-9,11-12H,3-4,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyMHCZQZBROJIQTG-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.55
Rot. Bonds7

About N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide

N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide (PubChem CID 113009463) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide
PubChem CID113009463
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide
SMILESCCCCNc1ccc(NC(=O)c2cccc(OC)c2)cn1
InChIInChI=1S/C17H21N3O2/c1-3-4-10-18-16-9-8-14(12-19-16)20-17(21)13-6-5-7-15(11-13)22-2/h5-9,11-12H,3-4,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyMHCZQZBROJIQTG-UHFFFAOYSA-N
XLogP3.55
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide
CID 113009457
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide
CID 82022486
N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide
CID 113009468
N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide
CID 113009462
3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide
CID 113015219
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide
CID 1452890
3-methoxy-N-[4-(propylamino)phenyl]benzamide
CID 112979702
N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide
CID 113023966
3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide
CID 113009042
4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013432
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113014907

Frequently Asked Questions

What is the IUPAC name of N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide?
The IUPAC name of N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide (CID 113009463) is N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide.
What is the SMILES notation for N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide?
The canonical SMILES for N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide is CCCCNc1ccc(NC(=O)c2cccc(OC)c2)cn1.
What is the InChIKey of N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide?
The InChIKey is MHCZQZBROJIQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-4-10-18-16-9-8-14(12-19-16)20-17(21)13-6-5-7-15(11-13)22-2/h5-9,11-12H,3-4,10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide?
N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide has a molecular weight of 299.37 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide is sourced from PubChem (CID 113009463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).