N-benzyl-3-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]propanamide

C18H17N5O — CID 75501853

IUPACN-benzyl-3-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]propanamide
SMILESN#Cc1c(NCCC(=O)NCc2ccccc2)nc2ccccn12
InChIInChI=1S/C18H17N5O/c19-12-15-18(22-16-8-4-5-11-23(15)16)20-10-9-17(24)21-13-14-6-2-1-3-7-14/h1-8,11,20H,9-10,13H2,(H,21,24)
InChIKeyWXOGJDCGNBYROX-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.32
Rot. Bonds6

About N-benzyl-3-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]propanamide

N-benzyl-3-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]propanamide (PubChem CID 75501853) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-benzyl-3-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]propanamide
PubChem CID75501853
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-benzyl-3-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]propanamide
SMILESN#Cc1c(NCCC(=O)NCc2ccccc2)nc2ccccn12
InChIInChI=1S/C18H17N5O/c19-12-15-18(22-16-8-4-5-11-23(15)16)20-10-9-17(24)21-13-14-6-2-1-3-7-14/h1-8,11,20H,9-10,13H2,(H,21,24)
InChIKeyWXOGJDCGNBYROX-UHFFFAOYSA-N
XLogP2.32
TPSA82.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]-N-prop-2-enylacetamide
CID 133463556
N-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide
CID 133279511
2-[[4-(difluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile
CID 133474557
3-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid
CID 22335044
2-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]pyridine-3-carbonitrile
CID 133462640
N-benzyl-3-(2-cyano-3-fluoroanilino)propanamide
CID 133279513
N-benzyl-3-(4-methylanilino)propanamide
CID 109018805
N-[4-[2-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]ethoxy]phenyl]methanesulfonamide
CID 133463158
2-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357955
2-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyridine-3-carbonitrile
CID 133462550
3-anilino-N-[(4-methylphenyl)methyl]propanamide
CID 109019803
N-benzyl-3-(2-ethylanilino)propanamide
CID 109018815

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]propanamide?
The IUPAC name of N-benzyl-3-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]propanamide (CID 75501853) is N-benzyl-3-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]propanamide.
What is the SMILES notation for N-benzyl-3-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]propanamide?
The canonical SMILES for N-benzyl-3-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]propanamide is N#Cc1c(NCCC(=O)NCc2ccccc2)nc2ccccn12.
What is the InChIKey of N-benzyl-3-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]propanamide?
The InChIKey is WXOGJDCGNBYROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c19-12-15-18(22-16-8-4-5-11-23(15)16)20-10-9-17(24)21-13-14-6-2-1-3-7-14/h1-8,11,20H,9-10,13H2,(H,21,24).
What are the key properties of N-benzyl-3-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]propanamide?
N-benzyl-3-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]propanamide has a molecular weight of 319.37 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]propanamide is sourced from PubChem (CID 75501853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).