3-[butyl(methyl)amino]-N-(3-imidazol-1-ylpropyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide

C20H28N6O — CID 46943503

IUPAC3-[butyl(methyl)amino]-N-(3-imidazol-1-ylpropyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCCCCN(C)c1c(C)nc2ccc(C(=O)NCCCn3ccnc3)cn12
InChIInChI=1S/C20H28N6O/c1-4-5-11-24(3)20-16(2)23-18-8-7-17(14-26(18)20)19(27)22-9-6-12-25-13-10-21-15-25/h7-8,10,13-15H,4-6,9,11-12H2,1-3H3,(H,22,27)
InChIKeyGEBZCMLJJQHCFI-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.90
Rot. Bonds9

About 3-[butyl(methyl)amino]-N-(3-imidazol-1-ylpropyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide

3-[butyl(methyl)amino]-N-(3-imidazol-1-ylpropyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46943503) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-N-(3-imidazol-1-ylpropyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-N-(3-imidazol-1-ylpropyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46943503
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name3-[butyl(methyl)amino]-N-(3-imidazol-1-ylpropyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCCCCN(C)c1c(C)nc2ccc(C(=O)NCCCn3ccnc3)cn12
InChIInChI=1S/C20H28N6O/c1-4-5-11-24(3)20-16(2)23-18-8-7-17(14-26(18)20)19(27)22-9-6-12-25-13-10-21-15-25/h7-8,10,13-15H,4-6,9,11-12H2,1-3H3,(H,22,27)
InChIKeyGEBZCMLJJQHCFI-UHFFFAOYSA-N
XLogP2.90
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-3-[ethyl(2-phenylethylcarbamoyl)amino]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 46943837
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
N-(3-imidazol-1-ylpropyl)-1-methylpyridin-1-ium-4-carboxamide
CID 39847983
N-(3-imidazol-1-ylpropyl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 6493669
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
N-(3-imidazol-1-ylpropyl)-3-iodo-4-methylbenzamide
CID 118203012
4-fluoro-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 63212783
N-(3-imidazol-1-ylpropyl)-4-[(E)-pent-1-enyl]benzamide
CID 59864516
2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 72851675
3-[acetyl(butyl)amino]-N-[3-(dimethylamino)propyl]-2-ethylimidazo[1,2-a]pyridine-6-carboxamide
CID 46948605
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-N-(3-imidazol-1-ylpropyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 3-[butyl(methyl)amino]-N-(3-imidazol-1-ylpropyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide (CID 46943503) is 3-[butyl(methyl)amino]-N-(3-imidazol-1-ylpropyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[butyl(methyl)amino]-N-(3-imidazol-1-ylpropyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[butyl(methyl)amino]-N-(3-imidazol-1-ylpropyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide is CCCCN(C)c1c(C)nc2ccc(C(=O)NCCCn3ccnc3)cn12.
What is the InChIKey of 3-[butyl(methyl)amino]-N-(3-imidazol-1-ylpropyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is GEBZCMLJJQHCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-4-5-11-24(3)20-16(2)23-18-8-7-17(14-26(18)20)19(27)22-9-6-12-25-13-10-21-15-25/h7-8,10,13-15H,4-6,9,11-12H2,1-3H3,(H,22,27).
What are the key properties of 3-[butyl(methyl)amino]-N-(3-imidazol-1-ylpropyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide?
3-[butyl(methyl)amino]-N-(3-imidazol-1-ylpropyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 368.49 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-N-(3-imidazol-1-ylpropyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46943503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).