3-(1H-benzimidazol-2-yl)-N-(6-methoxy-3-pyridinyl)propanamide

C16H16N4O2 — CID 44773909

IUPAC3-(1H-benzimidazol-2-yl)-N-(6-methoxy-3-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cn1
InChIInChI=1S/C16H16N4O2/c1-22-16-9-6-11(10-17-16)18-15(21)8-7-14-19-12-4-2-3-5-13(12)20-14/h2-6,9-10H,7-8H2,1H3,(H,18,21)(H,19,20)
InChIKeyXUSDKARDULPPDK-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.54
Rot. Bonds5

About 3-(1H-benzimidazol-2-yl)-N-(6-methoxy-3-pyridinyl)propanamide

3-(1H-benzimidazol-2-yl)-N-(6-methoxy-3-pyridinyl)propanamide (PubChem CID 44773909) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-(6-methoxy-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-(6-methoxy-3-pyridinyl)propanamide
PubChem CID44773909
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name3-(1H-benzimidazol-2-yl)-N-(6-methoxy-3-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cn1
InChIInChI=1S/C16H16N4O2/c1-22-16-9-6-11(10-17-16)18-15(21)8-7-14-19-12-4-2-3-5-13(12)20-14/h2-6,9-10H,7-8H2,1H3,(H,18,21)(H,19,20)
InChIKeyXUSDKARDULPPDK-UHFFFAOYSA-N
XLogP2.54
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
CID 32519791
3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide
CID 18811132
3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide
CID 46567336
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794
N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxypyridine-3-carboxamide
CID 42151221
4-(1,3-benzothiazol-2-yl)-N-(6-methoxy-3-pyridinyl)butanamide
CID 2472699
3-(1H-benzimidazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 25325404
3-(1H-benzimidazol-2-yl)-N-(4-imidazol-1-ylphenyl)propanamide
CID 31409989
ethyl 3-[3-(1H-benzimidazol-2-yl)propanoylamino]benzoate
CID 34202274
methyl (2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-2-phenylacetate
CID 95065188
3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 37162962
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83031876

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(6-methoxy-3-pyridinyl)propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(6-methoxy-3-pyridinyl)propanamide (CID 44773909) is 3-(1H-benzimidazol-2-yl)-N-(6-methoxy-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-(6-methoxy-3-pyridinyl)propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-(6-methoxy-3-pyridinyl)propanamide is COc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cn1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-(6-methoxy-3-pyridinyl)propanamide?
The InChIKey is XUSDKARDULPPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-22-16-9-6-11(10-17-16)18-15(21)8-7-14-19-12-4-2-3-5-13(12)20-14/h2-6,9-10H,7-8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-(6-methoxy-3-pyridinyl)propanamide?
3-(1H-benzimidazol-2-yl)-N-(6-methoxy-3-pyridinyl)propanamide has a molecular weight of 296.33 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-(6-methoxy-3-pyridinyl)propanamide is sourced from PubChem (CID 44773909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).