N-(3-methoxypropyl)-2-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide

C17H18N4O2 — CID 167970947

IUPACN-(3-methoxypropyl)-2-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
SMILESCOCCCNC(=O)c1ccccc1-c1cnc2[nH]ncc2c1
InChIInChI=1S/C17H18N4O2/c1-23-8-4-7-18-17(22)15-6-3-2-5-14(15)12-9-13-11-20-21-16(13)19-10-12/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyOUTLXTHSCMFBQA-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.39
Rot. Bonds6

About N-(3-methoxypropyl)-2-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide

N-(3-methoxypropyl)-2-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide (PubChem CID 167970947) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
PubChem CID167970947
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(3-methoxypropyl)-2-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
SMILESCOCCCNC(=O)c1ccccc1-c1cnc2[nH]ncc2c1
InChIInChI=1S/C17H18N4O2/c1-23-8-4-7-18-17(22)15-6-3-2-5-14(15)12-9-13-11-20-21-16(13)19-10-12/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyOUTLXTHSCMFBQA-UHFFFAOYSA-N
XLogP2.39
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.39
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-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 35513604
N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 31813310
N-[3-(2-hydroxyethoxy)propyl]-2-phenylbenzamide
CID 110022367
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
N-(3-methoxypropyl)-6-phenylpyridine-3-carboxamide
CID 110683628
N-(3-methoxypropyl)-3-phenyl-6-(2,3,4-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 22426212
2-benzoyl-N-(3-methoxypropyl)benzamide
CID 11841231
N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide
CID 17148582
4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide
CID 81225395
N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 6493124
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
N-(3-methoxypropyl)-2-quinolin-3-yloxyacetamide
CID 110488006

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide?
The IUPAC name of N-(3-methoxypropyl)-2-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide (CID 167970947) is N-(3-methoxypropyl)-2-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide is COCCCNC(=O)c1ccccc1-c1cnc2[nH]ncc2c1.
What is the InChIKey of N-(3-methoxypropyl)-2-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide?
The InChIKey is OUTLXTHSCMFBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-23-8-4-7-18-17(22)15-6-3-2-5-14(15)12-9-13-11-20-21-16(13)19-10-12/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of N-(3-methoxypropyl)-2-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide?
N-(3-methoxypropyl)-2-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide has a molecular weight of 310.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 167970947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).