3-(3-methoxypropoxy)-N-(3-methyl-4-pyridinyl)benzamide

C17H20N2O3 — CID 71998645

IUPAC3-(3-methoxypropoxy)-N-(3-methyl-4-pyridinyl)benzamide
SMILESCOCCCOc1cccc(C(=O)Nc2ccncc2C)c1
InChIInChI=1S/C17H20N2O3/c1-13-12-18-8-7-16(13)19-17(20)14-5-3-6-15(11-14)22-10-4-9-21-2/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,18,19,20)
InChIKeyWJHSEQWQXFBCKY-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.06
Rot. Bonds7

About 3-(3-methoxypropoxy)-N-(3-methyl-4-pyridinyl)benzamide

3-(3-methoxypropoxy)-N-(3-methyl-4-pyridinyl)benzamide (PubChem CID 71998645) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(3-methoxypropoxy)-N-(3-methyl-4-pyridinyl)benzamide.

Molecular Properties

Compound Name3-(3-methoxypropoxy)-N-(3-methyl-4-pyridinyl)benzamide
PubChem CID71998645
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-(3-methoxypropoxy)-N-(3-methyl-4-pyridinyl)benzamide
SMILESCOCCCOc1cccc(C(=O)Nc2ccncc2C)c1
InChIInChI=1S/C17H20N2O3/c1-13-12-18-8-7-16(13)19-17(20)14-5-3-6-15(11-14)22-10-4-9-21-2/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,18,19,20)
InChIKeyWJHSEQWQXFBCKY-UHFFFAOYSA-N
XLogP3.06
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[4-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]benzamide
CID 167924078
N-[3-(3-methoxypropoxy)phenyl]benzamide
CID 86997539
N-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methoxypropoxy)benzamide
CID 139011848
1-[3-(4-methoxybutoxy)phenyl]ethanone
CID 57239152
3-(2-methoxyethoxy)-N-(2-phenylphenyl)benzamide
CID 60564696
3-amino-5-ethoxy-N-(3-methyl-4-pyridinyl)benzamide
CID 81091759
N-(3-methyl-4-pyridinyl)-2H-benzotriazole-5-carboxamide
CID 56783123
N-(4-bromo-2-methylphenyl)-3-propoxybenzamide
CID 2293914
3-[3-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]prop-2-enoic acid
CID 77004222
N-(3-methyl-4-pyridinyl)-1H-indole-6-carboxamide
CID 63709047
N-(2,5-dimethylphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4954927
N-(4-benzamido-3-methylphenyl)-3-(2-phenylethoxy)benzamide
CID 54781723

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropoxy)-N-(3-methyl-4-pyridinyl)benzamide?
The IUPAC name of 3-(3-methoxypropoxy)-N-(3-methyl-4-pyridinyl)benzamide (CID 71998645) is 3-(3-methoxypropoxy)-N-(3-methyl-4-pyridinyl)benzamide.
What is the SMILES notation for 3-(3-methoxypropoxy)-N-(3-methyl-4-pyridinyl)benzamide?
The canonical SMILES for 3-(3-methoxypropoxy)-N-(3-methyl-4-pyridinyl)benzamide is COCCCOc1cccc(C(=O)Nc2ccncc2C)c1.
What is the InChIKey of 3-(3-methoxypropoxy)-N-(3-methyl-4-pyridinyl)benzamide?
The InChIKey is WJHSEQWQXFBCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13-12-18-8-7-16(13)19-17(20)14-5-3-6-15(11-14)22-10-4-9-21-2/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,18,19,20).
What are the key properties of 3-(3-methoxypropoxy)-N-(3-methyl-4-pyridinyl)benzamide?
3-(3-methoxypropoxy)-N-(3-methyl-4-pyridinyl)benzamide has a molecular weight of 300.36 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropoxy)-N-(3-methyl-4-pyridinyl)benzamide is sourced from PubChem (CID 71998645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).