N-butyl-3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide

C23H30N4O — CID 3644707

IUPACN-butyl-3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide
SMILESCCCCNC(=O)CC(c1ccc(N(C)C)cc1)c1cnc2c(C)cccn12
InChIInChI=1S/C23H30N4O/c1-5-6-13-24-22(28)15-20(18-9-11-19(12-10-18)26(3)4)21-16-25-23-17(2)8-7-14-27(21)23/h7-12,14,16,20H,5-6,13,15H2,1-4H3,(H,24,28)
InChIKeyUBLOSUSMYSBWJL-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.15
Rot. Bonds8

About N-butyl-3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide

N-butyl-3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide (PubChem CID 3644707) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-butyl-3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide.

Molecular Properties

Compound NameN-butyl-3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide
PubChem CID3644707
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-butyl-3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide
SMILESCCCCNC(=O)CC(c1ccc(N(C)C)cc1)c1cnc2c(C)cccn12
InChIInChI=1S/C23H30N4O/c1-5-6-13-24-22(28)15-20(18-9-11-19(12-10-18)26(3)4)21-16-25-23-17(2)8-7-14-27(21)23/h7-12,14,16,20H,5-6,13,15H2,1-4H3,(H,24,28)
InChIKeyUBLOSUSMYSBWJL-UHFFFAOYSA-N
XLogP4.15
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(dimethylamino)phenyl]-N-(3-methylbutyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 42783718
3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylpropyl)propanamide
CID 42783722
(3S)-3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 7306960
(3S)-3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-piperidin-1-ium-1-ylethyl)propanamide
CID 7306959
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 5072076
(3S)-N-butyl-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 7332062
N-hexyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 5050639
N-butyl-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4647962
3-(3,5-dimethoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide
CID 3274664
(3S)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide
CID 7115600
N-butyl-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4524635
N-butyl-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364466

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide?
The IUPAC name of N-butyl-3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide (CID 3644707) is N-butyl-3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide.
What is the SMILES notation for N-butyl-3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide?
The canonical SMILES for N-butyl-3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide is CCCCNC(=O)CC(c1ccc(N(C)C)cc1)c1cnc2c(C)cccn12.
What is the InChIKey of N-butyl-3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide?
The InChIKey is UBLOSUSMYSBWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-5-6-13-24-22(28)15-20(18-9-11-19(12-10-18)26(3)4)21-16-25-23-17(2)8-7-14-27(21)23/h7-12,14,16,20H,5-6,13,15H2,1-4H3,(H,24,28).
What are the key properties of N-butyl-3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide?
N-butyl-3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide has a molecular weight of 378.52 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide is sourced from PubChem (CID 3644707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).