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

C16H17N3O3 — CID 53167909

IUPACN-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cn2c(n1)CCCC2
InChIInChI=1S/C16H17N3O3/c20-16(12-9-19-6-2-1-3-15(19)18-12)17-8-11-4-5-13-14(7-11)22-10-21-13/h4-5,7,9H,1-3,6,8,10H2,(H,17,20)
InChIKeyDSICVOFIBDAOIY-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.88
Rot. Bonds3

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

N-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 53167909) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID53167909
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cn2c(n1)CCCC2
InChIInChI=1S/C16H17N3O3/c20-16(12-9-19-6-2-1-3-15(19)18-12)17-8-11-4-5-13-14(7-11)22-10-21-13/h4-5,7,9H,1-3,6,8,10H2,(H,17,20)
InChIKeyDSICVOFIBDAOIY-UHFFFAOYSA-N
XLogP1.88
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide
CID 53167861
N-[(4-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 53167923
N-(1,3-benzodioxol-5-ylmethyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109298249
N-(1,3-benzodioxol-5-ylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 71778537
2-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclohexene-1-carboxylic acid
CID 2812905
N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322286
N-(1,3-benzodioxol-5-ylmethyl)-2-methyltriazole-4-carboxamide
CID 110691382
1-N-(1,3-benzodioxol-5-ylmethyl)-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076390
N-(1,3-benzodioxol-5-ylmethyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110851790
N-(1,3-benzodioxol-5-ylmethyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide
CID 42690648
1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073984
2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide
CID 1294350

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 53167909) is N-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1cn2c(n1)CCCC2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is DSICVOFIBDAOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-16(12-9-19-6-2-1-3-15(19)18-12)17-8-11-4-5-13-14(7-11)22-10-21-13/h4-5,7,9H,1-3,6,8,10H2,(H,17,20).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 53167909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).