N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C18H22N6O — CID 50979171

IUPACN-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCn1ncnc1C(NC(=O)c1c(C)nc2ccc(C)cn12)C1CC1
InChIInChI=1S/C18H22N6O/c1-4-24-17(19-10-20-24)15(13-6-7-13)22-18(25)16-12(3)21-14-8-5-11(2)9-23(14)16/h5,8-10,13,15H,4,6-7H2,1-3H3,(H,22,25)
InChIKeyOCEJEPWODONIMR-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.44
Rot. Bonds5

About N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 50979171) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID50979171
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC NameN-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCn1ncnc1C(NC(=O)c1c(C)nc2ccc(C)cn12)C1CC1
InChIInChI=1S/C18H22N6O/c1-4-24-17(19-10-20-24)15(13-6-7-13)22-18(25)16-12(3)21-14-8-5-11(2)9-23(14)16/h5,8-10,13,15H,4,6-7H2,1-3H3,(H,22,25)
InChIKeyOCEJEPWODONIMR-UHFFFAOYSA-N
XLogP2.44
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 50979171) is N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is CCn1ncnc1C(NC(=O)c1c(C)nc2ccc(C)cn12)C1CC1.
What is the InChIKey of N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is OCEJEPWODONIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-4-24-17(19-10-20-24)15(13-6-7-13)22-18(25)16-12(3)21-14-8-5-11(2)9-23(14)16/h5,8-10,13,15H,4,6-7H2,1-3H3,(H,22,25).
What are the key properties of N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 50979171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).