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

C22H29N5O — CID 153344844

IUPACethane;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC.CN1CCN(c2ccc(CNC(=O)c3cn4ccccc4n3)cc2)CC1
InChIInChI=1S/C20H23N5O.C2H6/c1-23-10-12-24(13-11-23)17-7-5-16(6-8-17)14-21-20(26)18-15-25-9-3-2-4-19(25)22-18;1-2/h2-9,15H,10-14H2,1H3,(H,21,26);1-2H3
InChIKeyNKOGQURZIHXCJN-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.04
Rot. Bonds4

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

ethane;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 153344844) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is ethane;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Nameethane;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID153344844
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Nameethane;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC.CN1CCN(c2ccc(CNC(=O)c3cn4ccccc4n3)cc2)CC1
InChIInChI=1S/C20H23N5O.C2H6/c1-23-10-12-24(13-11-23)17-7-5-16(6-8-17)14-21-20(26)18-15-25-9-3-2-4-19(25)22-18;1-2/h2-9,15H,10-14H2,1H3,(H,21,26);1-2H3
InChIKeyNKOGQURZIHXCJN-UHFFFAOYSA-N
XLogP3.04
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.04
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

N-[(4-piperidin-1-ylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051276
N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 139507620
N-[[3-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 63311234
N-[(3-chloro-4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 53167047
N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 4080489
N-(aminomethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 66612183
N-[(2,4,6-trimethylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051271
N-[(3-hydroxycyclobutyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 66005188
N-(2-methoxyethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 51253266
2-ethyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121442149
2,6-dimethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 94249254
N-benzyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 1172225

Frequently Asked Questions

What is the IUPAC name of ethane;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of ethane;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 153344844) is ethane;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for ethane;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for ethane;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is CC.CN1CCN(c2ccc(CNC(=O)c3cn4ccccc4n3)cc2)CC1.
What is the InChIKey of ethane;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is NKOGQURZIHXCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O.C2H6/c1-23-10-12-24(13-11-23)17-7-5-16(6-8-17)14-21-20(26)18-15-25-9-3-2-4-19(25)22-18;1-2/h2-9,15H,10-14H2,1H3,(H,21,26);1-2H3.
What are the key properties of ethane;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
ethane;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 153344844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).