3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide

C21H25N5O3 — CID 56951245

IUPAC3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCCCN4CCOCC4)c3)cc21
InChIInChI=1S/C21H25N5O3/c1-25-18-13-17(14-23-19(18)24-21(25)28)15-4-2-5-16(12-15)20(27)22-6-3-7-26-8-10-29-11-9-26/h2,4-5,12-14H,3,6-11H2,1H3,(H,22,27)(H,23,24,28)
InChIKeyPRDVZONPHGRWFA-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.38
Rot. Bonds6

About 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide

3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 56951245) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID56951245
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCCCN4CCOCC4)c3)cc21
InChIInChI=1S/C21H25N5O3/c1-25-18-13-17(14-23-19(18)24-21(25)28)15-4-2-5-16(12-15)20(27)22-6-3-7-26-8-10-29-11-9-26/h2,4-5,12-14H,3,6-11H2,1H3,(H,22,27)(H,23,24,28)
InChIKeyPRDVZONPHGRWFA-UHFFFAOYSA-N
XLogP1.38
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-(aminomethyl)phenyl]propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 56951514
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 97310044
3-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 118763152
methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662
6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 121495695
2-benzyl-3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propanoic acid
CID 56951391
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231
3-[14-(methanesulfonamido)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-5-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 67411090
N-[1-(furan-2-yl)-2-methoxyethyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 75453858
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 99957182
3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 154753034

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide (CID 56951245) is 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide is Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCCCN4CCOCC4)c3)cc21.
What is the InChIKey of 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is PRDVZONPHGRWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-25-18-13-17(14-23-19(18)24-21(25)28)15-4-2-5-16(12-15)20(27)22-6-3-7-26-8-10-29-11-9-26/h2,4-5,12-14H,3,6-11H2,1H3,(H,22,27)(H,23,24,28).
What are the key properties of 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 395.46 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 56951245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).