N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C12H19N3O — CID 71838087

IUPACN-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cn2c(n1)CCCC2
InChIInChI=1S/C12H19N3O/c1-3-9(2)13-12(16)10-8-15-7-5-4-6-11(15)14-10/h8-9H,3-7H2,1-2H3,(H,13,16)
InChIKeyFYMISMNFTFBZNU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.75
Rot. Bonds3

About N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 71838087) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID71838087
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cn2c(n1)CCCC2
InChIInChI=1S/C12H19N3O/c1-3-9(2)13-12(16)10-8-15-7-5-4-6-11(15)14-10/h8-9H,3-7H2,1-2H3,(H,13,16)
InChIKeyFYMISMNFTFBZNU-UHFFFAOYSA-N
XLogP1.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 71838087) is N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is CCC(C)NC(=O)c1cn2c(n1)CCCC2.
What is the InChIKey of N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is FYMISMNFTFBZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-9(2)13-12(16)10-8-15-7-5-4-6-11(15)14-10/h8-9H,3-7H2,1-2H3,(H,13,16).
What are the key properties of N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 71838087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).