N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxypropanamide

C16H16N4O2 — CID 91012537

IUPACN-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cccc(-c2nc3ncccc3[nH]2)c1
InChIInChI=1S/C16H16N4O2/c1-22-9-7-14(21)18-12-5-2-4-11(10-12)15-19-13-6-3-8-17-16(13)20-15/h2-6,8,10H,7,9H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyYJSPZMCLRRUJRA-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.60
Rot. Bonds5

About N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxypropanamide

N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxypropanamide (PubChem CID 91012537) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxypropanamide
PubChem CID91012537
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cccc(-c2nc3ncccc3[nH]2)c1
InChIInChI=1S/C16H16N4O2/c1-22-9-7-14(21)18-12-5-2-4-11(10-12)15-19-13-6-3-8-17-16(13)20-15/h2-6,8,10H,7,9H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyYJSPZMCLRRUJRA-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-(3-methoxypropanoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid
CID 141144438
2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]acetic acid
CID 19821938
N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide
CID 59243189
3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 167983854
4-(1H-imidazo[4,5-b]pyridin-2-yl)benzohydrazide
CID 138857529
N-[5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137134070
N-[3-(1H-imidazol-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119871944
N-[3-(6-ethylsulfanylpyridazin-3-yl)phenyl]-3-methoxypropanamide
CID 53154037
N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-3-(oxan-4-yloxy)propanamide
CID 75425157
4-(1H-imidazo[4,5-b]pyridin-2-yl)-2,6-dimethoxyphenol
CID 154667096
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methoxypropanamide
CID 70804281
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 1104078

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxypropanamide?
The IUPAC name of N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxypropanamide (CID 91012537) is N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxypropanamide.
What is the SMILES notation for N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxypropanamide?
The canonical SMILES for N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxypropanamide is COCCC(=O)Nc1cccc(-c2nc3ncccc3[nH]2)c1.
What is the InChIKey of N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxypropanamide?
The InChIKey is YJSPZMCLRRUJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-22-9-7-14(21)18-12-5-2-4-11(10-12)15-19-13-6-3-8-17-16(13)20-15/h2-6,8,10H,7,9H2,1H3,(H,18,21)(H,17,19,20).
What are the key properties of N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxypropanamide?
N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxypropanamide has a molecular weight of 296.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxypropanamide is sourced from PubChem (CID 91012537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).