N-butyl-2-[(2,3-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide

C19H18Cl2N4O2 — CID 155569704

IUPACN-butyl-2-[(2,3-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1c(NC(=O)c2cccc(Cl)c2Cl)nc2ccccn12
InChIInChI=1S/C19H18Cl2N4O2/c1-2-3-10-22-19(27)16-17(23-14-9-4-5-11-25(14)16)24-18(26)12-7-6-8-13(20)15(12)21/h4-9,11H,2-3,10H2,1H3,(H,22,27)(H,24,26)
InChIKeyPMACDMQXKREKDP-UHFFFAOYSA-N
MW405.29 g/mol
LogP4.42
Rot. Bonds6

About N-butyl-2-[(2,3-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide

N-butyl-2-[(2,3-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155569704) has the molecular formula C19H18Cl2N4O2 and a molecular weight of 405.29 g/mol. Its IUPAC name is N-butyl-2-[(2,3-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-2-[(2,3-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155569704
Molecular FormulaC19H18Cl2N4O2
Molecular Weight405.29 g/mol
Exact Mass404.08
IUPAC NameN-butyl-2-[(2,3-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1c(NC(=O)c2cccc(Cl)c2Cl)nc2ccccn12
InChIInChI=1S/C19H18Cl2N4O2/c1-2-3-10-22-19(27)16-17(23-14-9-4-5-11-25(14)16)24-18(26)12-7-6-8-13(20)15(12)21/h4-9,11H,2-3,10H2,1H3,(H,22,27)(H,24,26)
InChIKeyPMACDMQXKREKDP-UHFFFAOYSA-N
XLogP4.42
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-5-[(2,3-dichlorobenzoyl)amino]-2,3-dimethylimidazole-4-carboxamide
CID 167841225
2-[(2,4-difluorobenzoyl)amino]-N-propylimidazo[1,2-a]pyridine-3-carboxamide
CID 155539275
1-N-butyl-3-N-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067209
N-ethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 789702
2-chloro-N-undecylbenzamide
CID 3373978
2,3-dichloro-N-(4-chloropentyl)benzamide
CID 106129757
2,3-dichloro-N-ethylbenzamide;methane
CID 158305709
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
2,3-dichloro-N-(3-iodopropyl)benzamide
CID 114504005
3-N-(3-acetamidophenyl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067228
5-methyl-N-(3-methylimidazo[1,2-a]pyridin-2-yl)-1-pentan-3-ylpyrazole-4-carboxamide
CID 122141358
3-chloro-2-fluoro-N-nonylbenzamide
CID 91722725

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(2,3-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-butyl-2-[(2,3-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide (CID 155569704) is N-butyl-2-[(2,3-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-2-[(2,3-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-butyl-2-[(2,3-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide is CCCCNC(=O)c1c(NC(=O)c2cccc(Cl)c2Cl)nc2ccccn12.
What is the InChIKey of N-butyl-2-[(2,3-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is PMACDMQXKREKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O2/c1-2-3-10-22-19(27)16-17(23-14-9-4-5-11-25(14)16)24-18(26)12-7-6-8-13(20)15(12)21/h4-9,11H,2-3,10H2,1H3,(H,22,27)(H,24,26).
What are the key properties of N-butyl-2-[(2,3-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
N-butyl-2-[(2,3-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 405.29 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(2,3-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155569704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).