2-[methyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid

C14H17N3O3 — CID 61432285

IUPAC2-[methyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCN(CC1CCCO1)c1nc2ccccn2c1C(=O)O
InChIInChI=1S/C14H17N3O3/c1-16(9-10-5-4-8-20-10)13-12(14(18)19)17-7-3-2-6-11(17)15-13/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,18,19)
InChIKeyKYXPZFJHTAMYJL-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.65
Rot. Bonds4

About 2-[methyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid

2-[methyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 61432285) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[methyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID61432285
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[methyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCN(CC1CCCO1)c1nc2ccccn2c1C(=O)O
InChIInChI=1S/C14H17N3O3/c1-16(9-10-5-4-8-20-10)13-12(14(18)19)17-7-3-2-6-11(17)15-13/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,18,19)
InChIKeyKYXPZFJHTAMYJL-UHFFFAOYSA-N
XLogP1.65
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61434670
3-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 61432563
N-methyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 61432564
4-[methyl(oxolan-2-ylmethyl)amino]quinazoline-2-carboxylic acid
CID 63868694
3-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 61434192
2-(N-methylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477811
3-(2-aminoethyl)-N-ethyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 63785517
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61442386
2-methyl-6-[methyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 67287490
6-chloro-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 63380171
2-[ethyl(propan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477884
2-[(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82728706

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[methyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 61432285) is 2-[methyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[methyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[methyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid is CN(CC1CCCO1)c1nc2ccccn2c1C(=O)O.
What is the InChIKey of 2-[methyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is KYXPZFJHTAMYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-16(9-10-5-4-8-20-10)13-12(14(18)19)17-7-3-2-6-11(17)15-13/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,18,19).
What are the key properties of 2-[methyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
2-[methyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 61432285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).