N-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1H-imidazo[4,5-b]pyridine-2-carboxamide

C22H27ClN6O — CID 143226899

IUPACN-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
SMILESCc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2nc3ncccc3[nH]2)CC1
InChIInChI=1S/C22H27ClN6O/c1-16-17(23)6-4-8-19(16)29-14-12-28(13-15-29)11-3-2-9-25-22(30)21-26-18-7-5-10-24-20(18)27-21/h4-8,10H,2-3,9,11-15H2,1H3,(H,25,30)(H,24,26,27)
InChIKeyMFEJNXFTSVKVPX-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.25
Rot. Bonds7

About N-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1H-imidazo[4,5-b]pyridine-2-carboxamide

N-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1H-imidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 143226899) has the molecular formula C22H27ClN6O and a molecular weight of 426.95 g/mol. Its IUPAC name is N-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1H-imidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
PubChem CID143226899
Molecular FormulaC22H27ClN6O
Molecular Weight426.95 g/mol
Exact Mass426.19
IUPAC NameN-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
SMILESCc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2nc3ncccc3[nH]2)CC1
InChIInChI=1S/C22H27ClN6O/c1-16-17(23)6-4-8-19(16)29-14-12-28(13-15-29)11-3-2-9-25-22(30)21-26-18-7-5-10-24-20(18)27-21/h4-8,10H,2-3,9,11-15H2,1H3,(H,25,30)(H,24,26,27)
InChIKeyMFEJNXFTSVKVPX-UHFFFAOYSA-N
XLogP3.25
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]anthracene-2-carboxamide;dihydrochloride
CID 21202835
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CID 90664598
N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(2-chlorophenyl)-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride
CID 67494967
N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-2,5-dimethylimidazole-4-carboxamide;trihydrochloride
CID 90664701
1-(3-chloro-2-methylphenyl)-4-pentylpiperazine
CID 20649335
7-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one
CID 10812321
N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(4-chlorophenyl)-5-methyl-2-propylimidazole-4-carboxamide;dihydrochloride
CID 67495550
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxamide
CID 58358816
N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride
CID 54577666
1-benzyl-N-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-5-methyltriazole-4-carboxamide
CID 11540842
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide
CID 10873956
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-3-yl-1H-pyrrole-3-carboxamide
CID 45278646

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1H-imidazo[4,5-b]pyridine-2-carboxamide?
The IUPAC name of N-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1H-imidazo[4,5-b]pyridine-2-carboxamide (CID 143226899) is N-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1H-imidazo[4,5-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1H-imidazo[4,5-b]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1H-imidazo[4,5-b]pyridine-2-carboxamide is Cc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2nc3ncccc3[nH]2)CC1.
What is the InChIKey of N-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1H-imidazo[4,5-b]pyridine-2-carboxamide?
The InChIKey is MFEJNXFTSVKVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN6O/c1-16-17(23)6-4-8-19(16)29-14-12-28(13-15-29)11-3-2-9-25-22(30)21-26-18-7-5-10-24-20(18)27-21/h4-8,10H,2-3,9,11-15H2,1H3,(H,25,30)(H,24,26,27).
What are the key properties of N-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1H-imidazo[4,5-b]pyridine-2-carboxamide?
N-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1H-imidazo[4,5-b]pyridine-2-carboxamide has a molecular weight of 426.95 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1H-imidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 143226899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).