2-(methylcarbamoylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide

C17H21N5O2 — CID 75392897

IUPAC2-(methylcarbamoylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
SMILESCNC(=O)NCC(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1
InChIInChI=1S/C17H21N5O2/c1-18-17(24)20-11-15(23)21-13-7-5-12(6-8-13)16-19-10-14-4-2-3-9-22(14)16/h5-8,10H,2-4,9,11H2,1H3,(H,21,23)(H2,18,20,24)
InChIKeyXPJFJANUVAJYCW-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.75
Rot. Bonds4

About 2-(methylcarbamoylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide

2-(methylcarbamoylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide (PubChem CID 75392897) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-(methylcarbamoylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(methylcarbamoylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
PubChem CID75392897
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name2-(methylcarbamoylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
SMILESCNC(=O)NCC(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1
InChIInChI=1S/C17H21N5O2/c1-18-17(24)20-11-15(23)21-13-7-5-12(6-8-13)16-19-10-14-4-2-3-9-22(14)16/h5-8,10H,2-4,9,11H2,1H3,(H,21,23)(H2,18,20,24)
InChIKeyXPJFJANUVAJYCW-UHFFFAOYSA-N
XLogP1.75
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
CID 119858470
2-(4-propoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
CID 112832914
2-(2-ethoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
CID 166190257
(2S)-2-amino-4-methyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pentanamide
CID 119858502
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
CID 112833075
4-(2-ethoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]butanamide
CID 112832993
4-ethoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833292
3-(4-fluorophenyl)sulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
CID 112832934
2-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]butanamide
CID 112833184
3-(carbamoylamino)-3-(2-methylphenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
CID 112832869
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
CID 112833231
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
CID 112832969

Frequently Asked Questions

What is the IUPAC name of 2-(methylcarbamoylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(methylcarbamoylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide (CID 75392897) is 2-(methylcarbamoylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(methylcarbamoylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(methylcarbamoylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide is CNC(=O)NCC(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1.
What is the InChIKey of 2-(methylcarbamoylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide?
The InChIKey is XPJFJANUVAJYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-18-17(24)20-11-15(23)21-13-7-5-12(6-8-13)16-19-10-14-4-2-3-9-22(14)16/h5-8,10H,2-4,9,11H2,1H3,(H,21,23)(H2,18,20,24).
What are the key properties of 2-(methylcarbamoylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide?
2-(methylcarbamoylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide has a molecular weight of 327.39 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylcarbamoylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide is sourced from PubChem (CID 75392897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).