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

C20H20N6O2 — CID 56951388

IUPACN-[3-(1H-imidazol-5-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
SMILESCn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCCCc4cnc[nH]4)c3)cc21
InChIInChI=1S/C20H20N6O2/c1-26-17-9-15(10-23-18(17)25-20(26)28)13-4-2-5-14(8-13)19(27)22-7-3-6-16-11-21-12-24-16/h2,4-5,8-12H,3,6-7H2,1H3,(H,21,24)(H,22,27)(H,23,25,28)
InChIKeySRGDGRKIUDZCCA-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.01
Rot. Bonds6

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

N-[3-(1H-imidazol-5-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide (PubChem CID 56951388) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[3-(1H-imidazol-5-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide.

Molecular Properties

Compound NameN-[3-(1H-imidazol-5-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
PubChem CID56951388
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC NameN-[3-(1H-imidazol-5-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
SMILESCn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCCCc4cnc[nH]4)c3)cc21
InChIInChI=1S/C20H20N6O2/c1-26-17-9-15(10-23-18(17)25-20(26)28)13-4-2-5-14(8-13)19(27)22-7-3-6-16-11-21-12-24-16/h2,4-5,8-12H,3,6-7H2,1H3,(H,21,24)(H,22,27)(H,23,25,28)
InChIKeySRGDGRKIUDZCCA-UHFFFAOYSA-N
XLogP2.01
TPSA108.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.01
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-5-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The IUPAC name of N-[3-(1H-imidazol-5-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide (CID 56951388) is N-[3-(1H-imidazol-5-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide.
What is the SMILES notation for N-[3-(1H-imidazol-5-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The canonical SMILES for N-[3-(1H-imidazol-5-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide is Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCCCc4cnc[nH]4)c3)cc21.
What is the InChIKey of N-[3-(1H-imidazol-5-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The InChIKey is SRGDGRKIUDZCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-26-17-9-15(10-23-18(17)25-20(26)28)13-4-2-5-14(8-13)19(27)22-7-3-6-16-11-21-12-24-16/h2,4-5,8-12H,3,6-7H2,1H3,(H,21,24)(H,22,27)(H,23,25,28).
What are the key properties of N-[3-(1H-imidazol-5-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide?
N-[3-(1H-imidazol-5-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide has a molecular weight of 376.42 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-5-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide is sourced from PubChem (CID 56951388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).