N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C13H21N3O — CID 71838055

IUPACN-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1cn2c(n1)CCCC2
InChIInChI=1S/C13H21N3O/c1-10(2)6-7-14-13(17)11-9-16-8-4-3-5-12(16)15-11/h9-10H,3-8H2,1-2H3,(H,14,17)
InChIKeyDMCIOETVLTTZAD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.00
Rot. Bonds4

About N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 71838055) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID71838055
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1cn2c(n1)CCCC2
InChIInChI=1S/C13H21N3O/c1-10(2)6-7-14-13(17)11-9-16-8-4-3-5-12(16)15-11/h9-10H,3-8H2,1-2H3,(H,14,17)
InChIKeyDMCIOETVLTTZAD-UHFFFAOYSA-N
XLogP2.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 2965238
CID 2965238
5-N-[4-(diaminomethylideneamino)butyl]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide
CID 155201791
5-N-[4-(diaminomethylideneamino)butyl]-2-N-hexyl-1H-imidazole-2,5-dicarboxamide
CID 155201882
US11142526, Example 186
CID 137530763
US11142526, Example 181
CID 137532984
US10022354, Example 19
CID 121279557
5H,6H,7H,8H-imidazo(1,5-a)pyrazin-8-one
CID 55276476
US10022354, Example 204
CID 121279712
US10858362, Example 7
CID 122652273
US10858362, Example 8
CID 122652314
US10858362, Example 85
CID 122652381
US10858362, Example 60
CID 122652455

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 71838055) is N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is CC(C)CCNC(=O)c1cn2c(n1)CCCC2.
What is the InChIKey of N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is DMCIOETVLTTZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(2)6-7-14-13(17)11-9-16-8-4-3-5-12(16)15-11/h9-10H,3-8H2,1-2H3,(H,14,17).
What are the key properties of N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 71838055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).