2-ethyl-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]propane-1,3-diol

C14H21N3O2 — CID 107864934

IUPAC2-ethyl-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NCc1c(C)nc2ccccn12
InChIInChI=1S/C14H21N3O2/c1-3-14(9-18,10-19)15-8-12-11(2)16-13-6-4-5-7-17(12)13/h4-7,15,18-19H,3,8-10H2,1-2H3
InChIKeyFMUFKESJUSUIES-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.87
Rot. Bonds6

About 2-ethyl-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]propane-1,3-diol

2-ethyl-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]propane-1,3-diol (PubChem CID 107864934) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-ethyl-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]propane-1,3-diol
PubChem CID107864934
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-ethyl-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NCc1c(C)nc2ccccn12
InChIInChI=1S/C14H21N3O2/c1-3-14(9-18,10-19)15-8-12-11(2)16-13-6-4-5-7-17(12)13/h4-7,15,18-19H,3,8-10H2,1-2H3
InChIKeyFMUFKESJUSUIES-UHFFFAOYSA-N
XLogP0.87
TPSA69.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]pentan-2-amine
CID 115694989
2-ethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43764503
(2-methylimidazo[1,2-a]pyridin-3-yl)methylurea
CID 139728346
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]cyclohexanamine
CID 43755994
1,1,1-trifluoro-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]propan-2-ol
CID 103745198
N-[(1-ethylcyclobutyl)methyl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 103745519
2-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43763308
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine
CID 63982688
(1R)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-phenylethanamine
CID 81350884
2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropan-1-amine
CID 62398309
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-2-amine
CID 84758728
2-[[(3-ethyl-1-hydroxypentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 167978114

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]propane-1,3-diol (CID 107864934) is 2-ethyl-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]propane-1,3-diol is CCC(CO)(CO)NCc1c(C)nc2ccccn12.
What is the InChIKey of 2-ethyl-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]propane-1,3-diol?
The InChIKey is FMUFKESJUSUIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-14(9-18,10-19)15-8-12-11(2)16-13-6-4-5-7-17(12)13/h4-7,15,18-19H,3,8-10H2,1-2H3.
What are the key properties of 2-ethyl-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]propane-1,3-diol?
2-ethyl-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]propane-1,3-diol has a molecular weight of 263.34 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]propane-1,3-diol is sourced from PubChem (CID 107864934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).