N-(imidazo[1,2-a]pyridin-5-ylmethyl)but-2-yn-1-amine

C12H13N3 — CID 115883630

IUPACN-(imidazo[1,2-a]pyridin-5-ylmethyl)but-2-yn-1-amine
SMILESCC#CCNCc1cccc2nccn12
InChIInChI=1S/C12H13N3/c1-2-3-7-13-10-11-5-4-6-12-14-8-9-15(11)12/h4-6,8-9,13H,7,10H2,1H3
InChIKeyRSAVVSIEZGYWRI-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.45
Rot. Bonds3

About N-(imidazo[1,2-a]pyridin-5-ylmethyl)but-2-yn-1-amine

N-(imidazo[1,2-a]pyridin-5-ylmethyl)but-2-yn-1-amine (PubChem CID 115883630) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-5-ylmethyl)but-2-yn-1-amine.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-5-ylmethyl)but-2-yn-1-amine
PubChem CID115883630
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC NameN-(imidazo[1,2-a]pyridin-5-ylmethyl)but-2-yn-1-amine
SMILESCC#CCNCc1cccc2nccn12
InChIInChI=1S/C12H13N3/c1-2-3-7-13-10-11-5-4-6-12-14-8-9-15(11)12/h4-6,8-9,13H,7,10H2,1H3
InChIKeyRSAVVSIEZGYWRI-UHFFFAOYSA-N
XLogP1.45
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(imidazo[1,2-a]pyridin-5-ylmethyl)-2-methoxyethanamine
CID 115883524
2-chloro-N-(imidazo[1,2-a]pyridin-5-ylmethyl)prop-2-en-1-amine
CID 115883601
imidazo[1,2-a]pyridin-5-ylmethanethiol
CID 89093379
5-(bromomethyl)imidazo[1,2-a]pyridine;hydrobromide
CID 121232171
N-(imidazo[1,2-a]pyridin-5-ylmethyl)-2-methyl-5-phenyl-1,2,4-triazol-3-amine
CID 154745786
1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-N-(imidazo[1,2-a]pyridin-5-ylmethyl)methanamine
CID 128992159
N-(imidazo[1,2-a]pyridin-5-ylmethyl)-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 128970524
N-[(E)-pent-3-enyl]imidazo[1,2-a]pyridin-5-amine
CID 102625793
(1R,2R,3S)-3-(imidazo[1,2-a]pyridin-5-ylmethylamino)-2-pyrazol-1-ylcyclobutan-1-ol
CID 167926150
N-butylimidazo[1,2-a]pyridin-5-amine
CID 102625326
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)oxan-3-amine
CID 128971761
2-[ethyl-[3-(imidazo[1,2-a]pyridin-5-ylmethylamino)cyclobutyl]amino]acetic acid
CID 122042751

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-5-ylmethyl)but-2-yn-1-amine?
The IUPAC name of N-(imidazo[1,2-a]pyridin-5-ylmethyl)but-2-yn-1-amine (CID 115883630) is N-(imidazo[1,2-a]pyridin-5-ylmethyl)but-2-yn-1-amine.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-5-ylmethyl)but-2-yn-1-amine?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-5-ylmethyl)but-2-yn-1-amine is CC#CCNCc1cccc2nccn12.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-5-ylmethyl)but-2-yn-1-amine?
The InChIKey is RSAVVSIEZGYWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-2-3-7-13-10-11-5-4-6-12-14-8-9-15(11)12/h4-6,8-9,13H,7,10H2,1H3.
What are the key properties of N-(imidazo[1,2-a]pyridin-5-ylmethyl)but-2-yn-1-amine?
N-(imidazo[1,2-a]pyridin-5-ylmethyl)but-2-yn-1-amine has a molecular weight of 199.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-5-ylmethyl)but-2-yn-1-amine is sourced from PubChem (CID 115883630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).