N-[(6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridin-7-yl)methyl]-N-methylacetamide

C15H21ClN4O2 — CID 68737544

IUPACN-[(6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridin-7-yl)methyl]-N-methylacetamide
SMILESCCCCCn1c(=O)[nH]c2ncc(Cl)c(CN(C)C(C)=O)c21
InChIInChI=1S/C15H21ClN4O2/c1-4-5-6-7-20-13-11(9-19(3)10(2)21)12(16)8-17-14(13)18-15(20)22/h8H,4-7,9H2,1-3H3,(H,17,18,22)
InChIKeyGJJHGTFZHOTEQF-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.55
Rot. Bonds6

About N-[(6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridin-7-yl)methyl]-N-methylacetamide

N-[(6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridin-7-yl)methyl]-N-methylacetamide (PubChem CID 68737544) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is N-[(6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridin-7-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridin-7-yl)methyl]-N-methylacetamide
PubChem CID68737544
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC NameN-[(6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridin-7-yl)methyl]-N-methylacetamide
SMILESCCCCCn1c(=O)[nH]c2ncc(Cl)c(CN(C)C(C)=O)c21
InChIInChI=1S/C15H21ClN4O2/c1-4-5-6-7-20-13-11(9-19(3)10(2)21)12(16)8-17-14(13)18-15(20)22/h8H,4-7,9H2,1-3H3,(H,17,18,22)
InChIKeyGJJHGTFZHOTEQF-UHFFFAOYSA-N
XLogP2.55
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridin-7-yl)methyl]-N-methylacetamide with MolForge

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Related Compounds

6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 68738502
6-chloro-7-(4-chlorophenyl)-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one
CID 67355313
6-chloro-7-[3-[(dimethylamino)methyl]phenyl]-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one
CID 67354673
6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one
CID 67353212
6-chloro-3-hexyl-5-propyl-1H-pyrimidine-2,4-dione
CID 113404730
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 112807489
6-amino-1-tetradecylpyrimidine-2,4-dione
CID 22924826
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
1-benzyl-7-butyl-3H-purine-2,6-dione
CID 101429168
1-butyl-7-[(2-methyl-1,3-dioxolan-2-yl)methyl]-3H-purine-2,6-dione
CID 70421254
8-[2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-methyl-7-nonylpurine-2,6-dione
CID 3107482
8-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-methyl-7-nonylpurine-2,6-dione
CID 6151412

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridin-7-yl)methyl]-N-methylacetamide?
The IUPAC name of N-[(6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridin-7-yl)methyl]-N-methylacetamide (CID 68737544) is N-[(6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridin-7-yl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridin-7-yl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridin-7-yl)methyl]-N-methylacetamide is CCCCCn1c(=O)[nH]c2ncc(Cl)c(CN(C)C(C)=O)c21.
What is the InChIKey of N-[(6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridin-7-yl)methyl]-N-methylacetamide?
The InChIKey is GJJHGTFZHOTEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O2/c1-4-5-6-7-20-13-11(9-19(3)10(2)21)12(16)8-17-14(13)18-15(20)22/h8H,4-7,9H2,1-3H3,(H,17,18,22).
What are the key properties of N-[(6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridin-7-yl)methyl]-N-methylacetamide?
N-[(6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridin-7-yl)methyl]-N-methylacetamide has a molecular weight of 324.81 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridin-7-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 68737544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).