N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(dimethylamino)phenyl]acetamide

C23H22ClN5O — CID 85471704

IUPACN-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(dimethylamino)phenyl]acetamide
SMILESCc1cnc2nc(-c3cc(NC(=O)Cc4ccc(N(C)C)cc4)ccc3Cl)[nH]c2c1
InChIInChI=1S/C23H22ClN5O/c1-14-10-20-23(25-13-14)28-22(27-20)18-12-16(6-9-19(18)24)26-21(30)11-15-4-7-17(8-5-15)29(2)3/h4-10,12-13H,11H2,1-3H3,(H,26,30)(H,25,27,28)
InChIKeyARJXAFBTXXOKRQ-UHFFFAOYSA-N
MW419.92 g/mol
LogP4.83
Rot. Bonds5

About N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(dimethylamino)phenyl]acetamide

N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(dimethylamino)phenyl]acetamide (PubChem CID 85471704) has the molecular formula C23H22ClN5O and a molecular weight of 419.92 g/mol. Its IUPAC name is N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(dimethylamino)phenyl]acetamide
PubChem CID85471704
Molecular FormulaC23H22ClN5O
Molecular Weight419.92 g/mol
Exact Mass419.15
IUPAC NameN-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(dimethylamino)phenyl]acetamide
SMILESCc1cnc2nc(-c3cc(NC(=O)Cc4ccc(N(C)C)cc4)ccc3Cl)[nH]c2c1
InChIInChI=1S/C23H22ClN5O/c1-14-10-20-23(25-13-14)28-22(27-20)18-12-16(6-9-19(18)24)26-21(30)11-15-4-7-17(8-5-15)29(2)3/h4-10,12-13H,11H2,1-3H3,(H,26,30)(H,25,27,28)
InChIKeyARJXAFBTXXOKRQ-UHFFFAOYSA-N
XLogP4.83
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide
CID 90403734
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 90403401
2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 90403629
1-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methylurea
CID 90403490
2-methylpropyl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate
CID 90403529
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide
CID 85471839
propan-2-yl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate
CID 90404079
2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide
CID 90403020
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 90403274
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 90403536
4-(dimethylamino)-N-[4-fluoro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]butanamide
CID 90403283
[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]carbamic acid
CID 90403447

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(dimethylamino)phenyl]acetamide (CID 85471704) is N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(dimethylamino)phenyl]acetamide is Cc1cnc2nc(-c3cc(NC(=O)Cc4ccc(N(C)C)cc4)ccc3Cl)[nH]c2c1.
What is the InChIKey of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is ARJXAFBTXXOKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O/c1-14-10-20-23(25-13-14)28-22(27-20)18-12-16(6-9-19(18)24)26-21(30)11-15-4-7-17(8-5-15)29(2)3/h4-10,12-13H,11H2,1-3H3,(H,26,30)(H,25,27,28).
What are the key properties of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(dimethylamino)phenyl]acetamide?
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 419.92 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 85471704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).