3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]propanimidamide

C12H17N5 — CID 43186266

IUPAC3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)Cc1cn2ccccc2n1
InChIInChI=1S/C12H17N5/c1-16(7-5-11(13)14)8-10-9-17-6-3-2-4-12(17)15-10/h2-4,6,9H,5,7-8H2,1H3,(H3,13,14)
InChIKeyAUDYXHSTFWAZSC-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.09
Rot. Bonds5

About 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]propanimidamide

3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]propanimidamide (PubChem CID 43186266) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]propanimidamide
PubChem CID43186266
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)Cc1cn2ccccc2n1
InChIInChI=1S/C12H17N5/c1-16(7-5-11(13)14)8-10-9-17-6-3-2-4-12(17)15-10/h2-4,6,9H,5,7-8H2,1H3,(H3,13,14)
InChIKeyAUDYXHSTFWAZSC-UHFFFAOYSA-N
XLogP1.09
TPSA70.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]-2-methylpropanethioamide
CID 54992223
[2-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]phenyl]methanamine
CID 60922596
4-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]aniline
CID 43458276
2-[2-(dimethylamino)ethyl-(imidazo[1,2-a]pyridin-2-ylmethyl)amino]acetic acid
CID 107425654
[3-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]phenyl]methanamine
CID 43248734
N-ethyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)ethanamine
CID 4701920
2-[ethyl(imidazo[1,2-a]pyridin-2-ylmethyl)amino]acetic acid
CID 54900006
3-[imidazo[1,2-a]pyridin-2-ylmethyl(propan-2-yl)amino]propanoic acid
CID 60839321
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarboximidamide
CID 24695598
N'-ethyl-N'-(imidazo[1,2-a]pyridin-2-ylmethyl)propane-1,3-diamine
CID 43137193
3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]benzenecarbothioamide
CID 62970898

Frequently Asked Questions

What is the IUPAC name of 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]propanimidamide?
The IUPAC name of 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]propanimidamide (CID 43186266) is 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]propanimidamide.
What is the SMILES notation for 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]propanimidamide?
The canonical SMILES for 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]propanimidamide is [H]/N=C(\N)CCN(C)Cc1cn2ccccc2n1.
What is the InChIKey of 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]propanimidamide?
The InChIKey is AUDYXHSTFWAZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-16(7-5-11(13)14)8-10-9-17-6-3-2-4-12(17)15-10/h2-4,6,9H,5,7-8H2,1H3,(H3,13,14).
What are the key properties of 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]propanimidamide?
3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]propanimidamide has a molecular weight of 231.30 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]propanimidamide is sourced from PubChem (CID 43186266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).