N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide

C21H25N5O — CID 139507620

IUPACN-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(NC(=O)c1cn2ccccc2n1)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C21H25N5O/c1-16(22-21(27)19-15-26-10-4-3-5-20(26)23-19)17-6-8-18(9-7-17)25-13-11-24(2)12-14-25/h3-10,15-16H,11-14H2,1-2H3,(H,22,27)
InChIKeyFXNIFKPNWDNLHE-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.58
Rot. Bonds4

About N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide

N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 139507620) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID139507620
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(NC(=O)c1cn2ccccc2n1)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C21H25N5O/c1-16(22-21(27)19-15-26-10-4-3-5-20(26)23-19)17-6-8-18(9-7-17)25-13-11-24(2)12-14-25/h3-10,15-16H,11-14H2,1-2H3,(H,22,27)
InChIKeyFXNIFKPNWDNLHE-UHFFFAOYSA-N
XLogP2.58
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 153344844
N-[1-[4-(morpholine-4-carbonyl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 139507648
N-[1-(4-morpholin-4-ylphenyl)ethyl]imidazo[1,2-a]pyrazine-2-carboxamide
CID 139507657
2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoic acid
CID 43170854
3-methyl-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-oxo-1H-imidazole-5-carboxamide
CID 167899177
N-[(2S)-heptan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 51969987
N-[(1R)-1-[4-(2,2-dimethylmorpholin-4-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(1R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(1R)-1-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]imidazo[1,2-a]pyrazine-2-carboxamide;N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 159662051
[(1S)-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]ethyl]carbamic acid
CID 141139652
N-(1-hydroxybutan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 43419304
(2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylpentanoic acid
CID 61173973
tert-butyl (2R)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoate
CID 80999369
N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 95051261

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 139507620) is N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide is CC(NC(=O)c1cn2ccccc2n1)c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is FXNIFKPNWDNLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-16(22-21(27)19-15-26-10-4-3-5-20(26)23-19)17-6-8-18(9-7-17)25-13-11-24(2)12-14-25/h3-10,15-16H,11-14H2,1-2H3,(H,22,27).
What are the key properties of N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 139507620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).