N-(3-methoxypropyl)-4-pyridin-2-ylbenzamide

C16H18N2O2 — CID 110464861

IUPACN-(3-methoxypropyl)-4-pyridin-2-ylbenzamide
SMILESCOCCCNC(=O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C16H18N2O2/c1-20-12-4-11-18-16(19)14-8-6-13(7-9-14)15-5-2-3-10-17-15/h2-3,5-10H,4,11-12H2,1H3,(H,18,19)
InChIKeyKQPIAWDZKYZIPN-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.51
Rot. Bonds6

About N-(3-methoxypropyl)-4-pyridin-2-ylbenzamide

N-(3-methoxypropyl)-4-pyridin-2-ylbenzamide (PubChem CID 110464861) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-pyridin-2-ylbenzamide
PubChem CID110464861
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-(3-methoxypropyl)-4-pyridin-2-ylbenzamide
SMILESCOCCCNC(=O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C16H18N2O2/c1-20-12-4-11-18-16(19)14-8-6-13(7-9-14)15-5-2-3-10-17-15/h2-3,5-10H,4,11-12H2,1H3,(H,18,19)
InChIKeyKQPIAWDZKYZIPN-UHFFFAOYSA-N
XLogP2.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-oxobutyl)-4-pyridin-2-ylbenzamide
CID 86091874
N-(3-methoxypropyl)-6-phenylpyridine-3-carboxamide
CID 110683628
N-methyl-4-pyridin-2-ylbenzamide
CID 110464841
N-[3-(2-methoxyethoxy)propyl]-4-phenylbenzamide
CID 134029636
N-(2-amino-2-oxoethyl)-4-pyridin-2-ylbenzamide
CID 110473912
N-propan-2-yl-4-pyridin-2-ylbenzamide
CID 59672619
N-(3-methoxypropyl)-4-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116798
4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide
CID 35513931
methyl (2S)-2-(propylamino)-3-[4-[2-[(4-pyridin-2-ylbenzoyl)amino]ethoxy]phenyl]propanoate
CID 86590720
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide
CID 11080574
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-pyridin-2-ylbenzamide?
The IUPAC name of N-(3-methoxypropyl)-4-pyridin-2-ylbenzamide (CID 110464861) is N-(3-methoxypropyl)-4-pyridin-2-ylbenzamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-pyridin-2-ylbenzamide?
The canonical SMILES for N-(3-methoxypropyl)-4-pyridin-2-ylbenzamide is COCCCNC(=O)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-pyridin-2-ylbenzamide?
The InChIKey is KQPIAWDZKYZIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-20-12-4-11-18-16(19)14-8-6-13(7-9-14)15-5-2-3-10-17-15/h2-3,5-10H,4,11-12H2,1H3,(H,18,19).
What are the key properties of N-(3-methoxypropyl)-4-pyridin-2-ylbenzamide?
N-(3-methoxypropyl)-4-pyridin-2-ylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 110464861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).