N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;ethane

C25H34N6O — CID 145332848

IUPACN-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;ethane
SMILESC=CC(=O)N(C)c1cnc2nc(NC3CCN(C)CC3)n(Cc3ccccc3)c2c1.CC
InChIInChI=1S/C23H28N6O.C2H6/c1-4-21(30)28(3)19-14-20-22(24-15-19)26-23(25-18-10-12-27(2)13-11-18)29(20)16-17-8-6-5-7-9-17;1-2/h4-9,14-15,18H,1,10-13,16H2,2-3H3,(H,24,25,26);1-2H3
InChIKeyOMDCBDRTGLBGJA-UHFFFAOYSA-N
MW434.59 g/mol
LogP4.16
Rot. Bonds6

About N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;ethane

N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;ethane (PubChem CID 145332848) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;ethane.

Molecular Properties

Compound NameN-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;ethane
PubChem CID145332848
Molecular FormulaC25H34N6O
Molecular Weight434.59 g/mol
Exact Mass434.28
IUPAC NameN-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;ethane
SMILESC=CC(=O)N(C)c1cnc2nc(NC3CCN(C)CC3)n(Cc3ccccc3)c2c1.CC
InChIInChI=1S/C23H28N6O.C2H6/c1-4-21(30)28(3)19-14-20-22(24-15-19)26-23(25-18-10-12-27(2)13-11-18)29(20)16-17-8-6-5-7-9-17;1-2/h4-9,14-15,18H,1,10-13,16H2,2-3H3,(H,24,25,26);1-2H3
InChIKeyOMDCBDRTGLBGJA-UHFFFAOYSA-N
XLogP4.16
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-benzyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide
CID 129248512
1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-(oxan-4-ylamino)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;oxan-4-amine;prop-2-enoyl chloride
CID 159839848
N-[1-benzyl-2-(8-hydroxy-5-azatricyclo[4.3.0.01,4]nonan-5-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide
CID 129275421
4-N-[1-benzyl-6-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]imidazo[4,5-b]pyridin-2-yl]cyclohexane-1,4-diamine
CID 167224000
N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-methylacetamide
CID 129248472
1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine
CID 15037387
1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 121375942
5-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]furan-3-carboxylic acid
CID 67885256
N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide
CID 129248593
N-[(3S)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]acetamide
CID 129274837
7-[(4-fluorophenyl)methyl]-8-[(1-methylpiperidin-4-yl)amino]-1H-purin-6-one
CID 135588854
4-[[4-[[7-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]methyl]phenol
CID 19785252

Frequently Asked Questions

What is the IUPAC name of N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;ethane?
The IUPAC name of N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;ethane (CID 145332848) is N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;ethane.
What is the SMILES notation for N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;ethane?
The canonical SMILES for N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;ethane is C=CC(=O)N(C)c1cnc2nc(NC3CCN(C)CC3)n(Cc3ccccc3)c2c1.CC.
What is the InChIKey of N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;ethane?
The InChIKey is OMDCBDRTGLBGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O.C2H6/c1-4-21(30)28(3)19-14-20-22(24-15-19)26-23(25-18-10-12-27(2)13-11-18)29(20)16-17-8-6-5-7-9-17;1-2/h4-9,14-15,18H,1,10-13,16H2,2-3H3,(H,24,25,26);1-2H3.
What are the key properties of N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;ethane?
N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;ethane has a molecular weight of 434.59 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;ethane is sourced from PubChem (CID 145332848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).