N,2-dimethyl-N-prop-2-ynylimidazo[1,2-a]pyridine-3-carboxamide

C13H13N3O — CID 126470164

IUPACN,2-dimethyl-N-prop-2-ynylimidazo[1,2-a]pyridine-3-carboxamide
SMILESC#CCN(C)C(=O)c1c(C)nc2ccccn12
InChIInChI=1S/C13H13N3O/c1-4-8-15(3)13(17)12-10(2)14-11-7-5-6-9-16(11)12/h1,5-7,9H,8H2,2-3H3
InChIKeyDJEXNOLZPUHANK-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.35
Rot. Bonds2

About N,2-dimethyl-N-prop-2-ynylimidazo[1,2-a]pyridine-3-carboxamide

N,2-dimethyl-N-prop-2-ynylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 126470164) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N,2-dimethyl-N-prop-2-ynylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-prop-2-ynylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID126470164
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN,2-dimethyl-N-prop-2-ynylimidazo[1,2-a]pyridine-3-carboxamide
SMILESC#CCN(C)C(=O)c1c(C)nc2ccccn12
InChIInChI=1S/C13H13N3O/c1-4-8-15(3)13(17)12-10(2)14-11-7-5-6-9-16(11)12/h1,5-7,9H,8H2,2-3H3
InChIKeyDJEXNOLZPUHANK-UHFFFAOYSA-N
XLogP1.35
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 789702
2-(methylamino)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 84777303
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90550161
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
ethyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetate
CID 75480680
2-(prop-2-ynylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357371
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 122356267
N,2,7-trimethyl-N-(quinolin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 42796821
2-methyl-N-(7-prop-2-ynyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)imidazo[1,2-a]pyridine-3-carboxamide
CID 43945959
(2-methylimidazo[1,2-a]pyridin-3-yl)methylurea
CID 139728346
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 122295413
2-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 78895322

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-prop-2-ynylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N,2-dimethyl-N-prop-2-ynylimidazo[1,2-a]pyridine-3-carboxamide (CID 126470164) is N,2-dimethyl-N-prop-2-ynylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-prop-2-ynylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N,2-dimethyl-N-prop-2-ynylimidazo[1,2-a]pyridine-3-carboxamide is C#CCN(C)C(=O)c1c(C)nc2ccccn12.
What is the InChIKey of N,2-dimethyl-N-prop-2-ynylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is DJEXNOLZPUHANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-4-8-15(3)13(17)12-10(2)14-11-7-5-6-9-16(11)12/h1,5-7,9H,8H2,2-3H3.
What are the key properties of N,2-dimethyl-N-prop-2-ynylimidazo[1,2-a]pyridine-3-carboxamide?
N,2-dimethyl-N-prop-2-ynylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 227.27 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-prop-2-ynylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 126470164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).