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

C24H25N5O2 — CID 56951514

IUPACN-[3-[3-(aminomethyl)phenyl]propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
SMILESCn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCCCc4cccc(CN)c4)c3)cc21
InChIInChI=1S/C24H25N5O2/c1-29-21-13-20(15-27-22(21)28-24(29)31)18-8-3-9-19(12-18)23(30)26-10-4-7-16-5-2-6-17(11-16)14-25/h2-3,5-6,8-9,11-13,15H,4,7,10,14,25H2,1H3,(H,26,30)(H,27,28,31)
InChIKeyFRPZGUXMMODSGM-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.75
Rot. Bonds7

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

N-[3-[3-(aminomethyl)phenyl]propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide (PubChem CID 56951514) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[3-[3-(aminomethyl)phenyl]propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide.

Molecular Properties

Compound NameN-[3-[3-(aminomethyl)phenyl]propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
PubChem CID56951514
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-[3-[3-(aminomethyl)phenyl]propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
SMILESCn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCCCc4cccc(CN)c4)c3)cc21
InChIInChI=1S/C24H25N5O2/c1-29-21-13-20(15-27-22(21)28-24(29)31)18-8-3-9-19(12-18)23(30)26-10-4-7-16-5-2-6-17(11-16)14-25/h2-3,5-6,8-9,11-13,15H,4,7,10,14,25H2,1H3,(H,26,30)(H,27,28,31)
InChIKeyFRPZGUXMMODSGM-UHFFFAOYSA-N
XLogP2.75
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1H-indol-3-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 56924673
3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 56951245
2-benzyl-3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propanoic acid
CID 56951391
N-[1-(furan-2-yl)-2-methoxyethyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 75453858
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
N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 146127384
3-[3-(aminomethyl)phenyl]-N-[3-[3-aminopropyl(methyl)amino]propyl]benzamide
CID 167839561
6-[3-(aminomethyl)phenyl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 56861576
6-[3-(4-benzyl-4,8-diazatricyclo[5.2.2.02,6]undecane-8-carbonyl)phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
CID 146135394
3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide
CID 115161194
1-methyl-6-[3-[4-(2-methyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 146127382
3-(aminomethyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 60895534

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(aminomethyl)phenyl]propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The IUPAC name of N-[3-[3-(aminomethyl)phenyl]propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide (CID 56951514) is N-[3-[3-(aminomethyl)phenyl]propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide.
What is the SMILES notation for N-[3-[3-(aminomethyl)phenyl]propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The canonical SMILES for N-[3-[3-(aminomethyl)phenyl]propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide is Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCCCc4cccc(CN)c4)c3)cc21.
What is the InChIKey of N-[3-[3-(aminomethyl)phenyl]propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The InChIKey is FRPZGUXMMODSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-29-21-13-20(15-27-22(21)28-24(29)31)18-8-3-9-19(12-18)23(30)26-10-4-7-16-5-2-6-17(11-16)14-25/h2-3,5-6,8-9,11-13,15H,4,7,10,14,25H2,1H3,(H,26,30)(H,27,28,31).
What are the key properties of N-[3-[3-(aminomethyl)phenyl]propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide?
N-[3-[3-(aminomethyl)phenyl]propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide has a molecular weight of 415.50 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(aminomethyl)phenyl]propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide is sourced from PubChem (CID 56951514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).