N-[4-(6-amino-4-methyl-2-pyridinyl)butyl]-2-hydroxy-5-methoxybenzamide

C18H23N3O3 — CID 15887985

IUPACN-[4-(6-amino-4-methyl-2-pyridinyl)butyl]-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCCCCc2cc(C)cc(N)n2)c1
InChIInChI=1S/C18H23N3O3/c1-12-9-13(21-17(19)10-12)5-3-4-8-20-18(23)15-11-14(24-2)6-7-16(15)22/h6-7,9-11,22H,3-5,8H2,1-2H3,(H2,19,21)(H,20,23)
InChIKeySGMRKOQLFBLEQE-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.44
Rot. Bonds7

About N-[4-(6-amino-4-methyl-2-pyridinyl)butyl]-2-hydroxy-5-methoxybenzamide

N-[4-(6-amino-4-methyl-2-pyridinyl)butyl]-2-hydroxy-5-methoxybenzamide (PubChem CID 15887985) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[4-(6-amino-4-methyl-2-pyridinyl)butyl]-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(6-amino-4-methyl-2-pyridinyl)butyl]-2-hydroxy-5-methoxybenzamide
PubChem CID15887985
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[4-(6-amino-4-methyl-2-pyridinyl)butyl]-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCCCCc2cc(C)cc(N)n2)c1
InChIInChI=1S/C18H23N3O3/c1-12-9-13(21-17(19)10-12)5-3-4-8-20-18(23)15-11-14(24-2)6-7-16(15)22/h6-7,9-11,22H,3-5,8H2,1-2H3,(H2,19,21)(H,20,23)
InChIKeySGMRKOQLFBLEQE-UHFFFAOYSA-N
XLogP2.44
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide
CID 114504277
N-(3-cyanopropyl)-2-hydroxy-5-methoxybenzamide
CID 62668483
2-hydroxy-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 115579282
2-hydroxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 11086863
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117
2-hydroxy-5-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641545
2-hydroxy-5-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693736
2-amino-5-methoxy-N-(3-methoxypropyl)benzamide
CID 54878569
(2S)-2-hydroxy-3-[(2-hydroxy-5-methoxybenzoyl)amino]propanoic acid
CID 107833807
2-hydroxy-5-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 60728918
N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-methoxybenzamide
CID 103842410
N-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide
CID 60666342

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-amino-4-methyl-2-pyridinyl)butyl]-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-[4-(6-amino-4-methyl-2-pyridinyl)butyl]-2-hydroxy-5-methoxybenzamide (CID 15887985) is N-[4-(6-amino-4-methyl-2-pyridinyl)butyl]-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-[4-(6-amino-4-methyl-2-pyridinyl)butyl]-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-[4-(6-amino-4-methyl-2-pyridinyl)butyl]-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)NCCCCc2cc(C)cc(N)n2)c1.
What is the InChIKey of N-[4-(6-amino-4-methyl-2-pyridinyl)butyl]-2-hydroxy-5-methoxybenzamide?
The InChIKey is SGMRKOQLFBLEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-9-13(21-17(19)10-12)5-3-4-8-20-18(23)15-11-14(24-2)6-7-16(15)22/h6-7,9-11,22H,3-5,8H2,1-2H3,(H2,19,21)(H,20,23).
What are the key properties of N-[4-(6-amino-4-methyl-2-pyridinyl)butyl]-2-hydroxy-5-methoxybenzamide?
N-[4-(6-amino-4-methyl-2-pyridinyl)butyl]-2-hydroxy-5-methoxybenzamide has a molecular weight of 329.40 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-amino-4-methyl-2-pyridinyl)butyl]-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 15887985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).