N-butan-2-yl-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide

C14H16F3N3O2 — CID 126469258

IUPACN-butan-2-yl-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1c(C(F)(F)F)nc2c(OC)cccn12
InChIInChI=1S/C14H16F3N3O2/c1-4-8(2)18-13(21)10-11(14(15,16)17)19-12-9(22-3)6-5-7-20(10)12/h5-8H,4H2,1-3H3,(H,18,21)
InChIKeyPJBSFZZLDKVKBN-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.89
Rot. Bonds4

About N-butan-2-yl-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide

N-butan-2-yl-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 126469258) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is N-butan-2-yl-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID126469258
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC NameN-butan-2-yl-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1c(C(F)(F)F)nc2c(OC)cccn12
InChIInChI=1S/C14H16F3N3O2/c1-4-8(2)18-13(21)10-11(14(15,16)17)19-12-9(22-3)6-5-7-20(10)12/h5-8H,4H2,1-3H3,(H,18,21)
InChIKeyPJBSFZZLDKVKBN-UHFFFAOYSA-N
XLogP2.89
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 126469258) is N-butan-2-yl-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is CCC(C)NC(=O)c1c(C(F)(F)F)nc2c(OC)cccn12.
What is the InChIKey of N-butan-2-yl-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is PJBSFZZLDKVKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c1-4-8(2)18-13(21)10-11(14(15,16)17)19-12-9(22-3)6-5-7-20(10)12/h5-8H,4H2,1-3H3,(H,18,21).
What are the key properties of N-butan-2-yl-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
N-butan-2-yl-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 315.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 126469258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).