4-[(6-cyanoimidazo[1,2-a]pyridin-3-yl)methylamino]-N,N-diethylbutanamide

C17H23N5O — CID 119136123

IUPAC4-[(6-cyanoimidazo[1,2-a]pyridin-3-yl)methylamino]-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCNCc1cnc2ccc(C#N)cn12
InChIInChI=1S/C17H23N5O/c1-3-21(4-2)17(23)6-5-9-19-11-15-12-20-16-8-7-14(10-18)13-22(15)16/h7-8,12-13,19H,3-6,9,11H2,1-2H3
InChIKeyMGUVQLPIOBSEPU-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.94
Rot. Bonds8

About 4-[(6-cyanoimidazo[1,2-a]pyridin-3-yl)methylamino]-N,N-diethylbutanamide

4-[(6-cyanoimidazo[1,2-a]pyridin-3-yl)methylamino]-N,N-diethylbutanamide (PubChem CID 119136123) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 4-[(6-cyanoimidazo[1,2-a]pyridin-3-yl)methylamino]-N,N-diethylbutanamide.

Molecular Properties

Compound Name4-[(6-cyanoimidazo[1,2-a]pyridin-3-yl)methylamino]-N,N-diethylbutanamide
PubChem CID119136123
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name4-[(6-cyanoimidazo[1,2-a]pyridin-3-yl)methylamino]-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCNCc1cnc2ccc(C#N)cn12
InChIInChI=1S/C17H23N5O/c1-3-21(4-2)17(23)6-5-9-19-11-15-12-20-16-8-7-14(10-18)13-22(15)16/h7-8,12-13,19H,3-6,9,11H2,1-2H3
InChIKeyMGUVQLPIOBSEPU-UHFFFAOYSA-N
XLogP1.94
TPSA73.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(3-hydroxypropylsulfanyl)ethylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 111434688
3-[[(3-hydroxy-4-methylpentyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 111468076
3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 111498712
3-[(3-cyanophenyl)methylamino]-N,N-diethylpropanamide
CID 54934968
3-(4-cyanoanilino)-N,N-diethylpropanamide
CID 54936059
3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 111434676
3-[[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 119136114
N,N-diethyl-4-(1H-imidazol-2-ylmethylamino)butanamide
CID 119111442
3-[[[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 166355076
3-[[1-(4-hydroxyphenyl)propan-2-yl-methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 167919790
3-[[[4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 119136092
N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine
CID 115641531

Frequently Asked Questions

What is the IUPAC name of 4-[(6-cyanoimidazo[1,2-a]pyridin-3-yl)methylamino]-N,N-diethylbutanamide?
The IUPAC name of 4-[(6-cyanoimidazo[1,2-a]pyridin-3-yl)methylamino]-N,N-diethylbutanamide (CID 119136123) is 4-[(6-cyanoimidazo[1,2-a]pyridin-3-yl)methylamino]-N,N-diethylbutanamide.
What is the SMILES notation for 4-[(6-cyanoimidazo[1,2-a]pyridin-3-yl)methylamino]-N,N-diethylbutanamide?
The canonical SMILES for 4-[(6-cyanoimidazo[1,2-a]pyridin-3-yl)methylamino]-N,N-diethylbutanamide is CCN(CC)C(=O)CCCNCc1cnc2ccc(C#N)cn12.
What is the InChIKey of 4-[(6-cyanoimidazo[1,2-a]pyridin-3-yl)methylamino]-N,N-diethylbutanamide?
The InChIKey is MGUVQLPIOBSEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-3-21(4-2)17(23)6-5-9-19-11-15-12-20-16-8-7-14(10-18)13-22(15)16/h7-8,12-13,19H,3-6,9,11H2,1-2H3.
What are the key properties of 4-[(6-cyanoimidazo[1,2-a]pyridin-3-yl)methylamino]-N,N-diethylbutanamide?
4-[(6-cyanoimidazo[1,2-a]pyridin-3-yl)methylamino]-N,N-diethylbutanamide has a molecular weight of 313.41 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-cyanoimidazo[1,2-a]pyridin-3-yl)methylamino]-N,N-diethylbutanamide is sourced from PubChem (CID 119136123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).