3-amino-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride

C13H20Cl2N4O — CID 119860099

IUPAC3-amino-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride
SMILESCc1ccc2nc(CNC(=O)CC(C)N)cn2c1.Cl.Cl
InChIInChI=1S/C13H18N4O.2ClH/c1-9-3-4-12-16-11(8-17(12)7-9)6-15-13(18)5-10(2)14;;/h3-4,7-8,10H,5-6,14H2,1-2H3,(H,15,18);2*1H
InChIKeyHVUIOWKOXRUTID-UHFFFAOYSA-N
MW319.24 g/mol
LogP1.84
Rot. Bonds4

About 3-amino-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride

3-amino-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride (PubChem CID 119860099) has the molecular formula C13H20Cl2N4O and a molecular weight of 319.24 g/mol. Its IUPAC name is 3-amino-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride
PubChem CID119860099
Molecular FormulaC13H20Cl2N4O
Molecular Weight319.24 g/mol
Exact Mass318.10
IUPAC Name3-amino-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride
SMILESCc1ccc2nc(CNC(=O)CC(C)N)cn2c1.Cl.Cl
InChIInChI=1S/C13H18N4O.2ClH/c1-9-3-4-12-16-11(8-17(12)7-9)6-15-13(18)5-10(2)14;;/h3-4,7-8,10H,5-6,14H2,1-2H3,(H,15,18);2*1H
InChIKeyHVUIOWKOXRUTID-UHFFFAOYSA-N
XLogP1.84
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride
CID 119860105
3-amino-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride
CID 119860092
2-methyl-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]propanamide
CID 47342907
N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]pentanamide
CID 47342909
3-amino-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide
CID 119882794
(2S)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid
CID 83192556
3-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide
CID 47343605
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride
CID 119839268
N-[2-(methylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 120827427
N-(1-amino-4-methylpentan-2-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide;dihydrochloride
CID 119587695
N-(2-amino-2-phenylethyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 119528901
N-butan-2-yl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 86920911

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride (CID 119860099) is 3-amino-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride is Cc1ccc2nc(CNC(=O)CC(C)N)cn2c1.Cl.Cl.
What is the InChIKey of 3-amino-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride?
The InChIKey is HVUIOWKOXRUTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O.2ClH/c1-9-3-4-12-16-11(8-17(12)7-9)6-15-13(18)5-10(2)14;;/h3-4,7-8,10H,5-6,14H2,1-2H3,(H,15,18);2*1H.
What are the key properties of 3-amino-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride?
3-amino-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride has a molecular weight of 319.24 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride is sourced from PubChem (CID 119860099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).