3-[acetyl(butyl)amino]-N-[3-(dimethylamino)propyl]-2-ethylimidazo[1,2-a]pyridine-6-carboxamide

C21H33N5O2 — CID 46948605

IUPAC3-[acetyl(butyl)amino]-N-[3-(dimethylamino)propyl]-2-ethylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCCCCN(C(C)=O)c1c(CC)nc2ccc(C(=O)NCCCN(C)C)cn12
InChIInChI=1S/C21H33N5O2/c1-6-8-14-25(16(3)27)21-18(7-2)23-19-11-10-17(15-26(19)21)20(28)22-12-9-13-24(4)5/h10-11,15H,6-9,12-14H2,1-5H3,(H,22,28)
InChIKeySOCBDQMQEDGVTI-UHFFFAOYSA-N
MW387.53 g/mol
LogP2.73
Rot. Bonds10

About 3-[acetyl(butyl)amino]-N-[3-(dimethylamino)propyl]-2-ethylimidazo[1,2-a]pyridine-6-carboxamide

3-[acetyl(butyl)amino]-N-[3-(dimethylamino)propyl]-2-ethylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46948605) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 3-[acetyl(butyl)amino]-N-[3-(dimethylamino)propyl]-2-ethylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[acetyl(butyl)amino]-N-[3-(dimethylamino)propyl]-2-ethylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46948605
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name3-[acetyl(butyl)amino]-N-[3-(dimethylamino)propyl]-2-ethylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCCCCN(C(C)=O)c1c(CC)nc2ccc(C(=O)NCCCN(C)C)cn12
InChIInChI=1S/C21H33N5O2/c1-6-8-14-25(16(3)27)21-18(7-2)23-19-11-10-17(15-26(19)21)20(28)22-12-9-13-24(4)5/h10-11,15H,6-9,12-14H2,1-5H3,(H,22,28)
InChIKeySOCBDQMQEDGVTI-UHFFFAOYSA-N
XLogP2.73
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[acetyl(butyl)amino]-N-[3-(dimethylamino)propyl]-2-ethylimidazo[1,2-a]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[butyl(methyl)amino]-N-(3-imidazol-1-ylpropyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide
CID 46943503
N-[2-(dimethylamino)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 50784714
2-ethyl-3-[ethyl(2-phenylethylcarbamoyl)amino]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 46943837
3-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 46948251
2-ethyl-3-[(2-methoxyphenyl)carbamoyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 46943975
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
N-hexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 68796072
2,3-bis(4-chlorophenyl)-N-pentylimidazo[1,2-a]pyridine-6-carboxamide
CID 24743398

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(butyl)amino]-N-[3-(dimethylamino)propyl]-2-ethylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 3-[acetyl(butyl)amino]-N-[3-(dimethylamino)propyl]-2-ethylimidazo[1,2-a]pyridine-6-carboxamide (CID 46948605) is 3-[acetyl(butyl)amino]-N-[3-(dimethylamino)propyl]-2-ethylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[acetyl(butyl)amino]-N-[3-(dimethylamino)propyl]-2-ethylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[acetyl(butyl)amino]-N-[3-(dimethylamino)propyl]-2-ethylimidazo[1,2-a]pyridine-6-carboxamide is CCCCN(C(C)=O)c1c(CC)nc2ccc(C(=O)NCCCN(C)C)cn12.
What is the InChIKey of 3-[acetyl(butyl)amino]-N-[3-(dimethylamino)propyl]-2-ethylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is SOCBDQMQEDGVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-6-8-14-25(16(3)27)21-18(7-2)23-19-11-10-17(15-26(19)21)20(28)22-12-9-13-24(4)5/h10-11,15H,6-9,12-14H2,1-5H3,(H,22,28).
What are the key properties of 3-[acetyl(butyl)amino]-N-[3-(dimethylamino)propyl]-2-ethylimidazo[1,2-a]pyridine-6-carboxamide?
3-[acetyl(butyl)amino]-N-[3-(dimethylamino)propyl]-2-ethylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 2.73, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(butyl)amino]-N-[3-(dimethylamino)propyl]-2-ethylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46948605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).