N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazo[1,2-a]pyrazin-3-ylamino)propanamide

C17H17N5O3 — CID 53039656

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-(imidazo[1,2-a]pyrazin-3-ylamino)propanamide
SMILESO=C(CCNc1cnc2cnccn12)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C17H17N5O3/c23-17(21-8-12-1-2-13-14(7-12)25-11-24-13)3-4-19-16-10-20-15-9-18-5-6-22(15)16/h1-2,5-7,9-10,19H,3-4,8,11H2,(H,21,23)
InChIKeyAMBYBCWQANVACR-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.58
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazo[1,2-a]pyrazin-3-ylamino)propanamide

N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazo[1,2-a]pyrazin-3-ylamino)propanamide (PubChem CID 53039656) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazo[1,2-a]pyrazin-3-ylamino)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-(imidazo[1,2-a]pyrazin-3-ylamino)propanamide
PubChem CID53039656
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-(imidazo[1,2-a]pyrazin-3-ylamino)propanamide
SMILESO=C(CCNc1cnc2cnccn12)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C17H17N5O3/c23-17(21-8-12-1-2-13-14(7-12)25-11-24-13)3-4-19-16-10-20-15-9-18-5-6-22(15)16/h1-2,5-7,9-10,19H,3-4,8,11H2,(H,21,23)
InChIKeyAMBYBCWQANVACR-UHFFFAOYSA-N
XLogP1.58
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109022575
N-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide
CID 3238528
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47350006
N-(1,3-benzodioxol-5-ylmethyl)-3-(propylamino)propanamide
CID 109011504
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-ethoxyanilino)propanamide
CID 109022658
N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide
CID 2810954
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131937873
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
2-(1,3-benzodioxol-5-ylmethylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 108998669
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109022696
N-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromo-4-methylanilino)propanamide
CID 109022653
methyl 4-[[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]amino]benzoate
CID 109022673

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazo[1,2-a]pyrazin-3-ylamino)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazo[1,2-a]pyrazin-3-ylamino)propanamide (CID 53039656) is N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazo[1,2-a]pyrazin-3-ylamino)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazo[1,2-a]pyrazin-3-ylamino)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazo[1,2-a]pyrazin-3-ylamino)propanamide is O=C(CCNc1cnc2cnccn12)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazo[1,2-a]pyrazin-3-ylamino)propanamide?
The InChIKey is AMBYBCWQANVACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c23-17(21-8-12-1-2-13-14(7-12)25-11-24-13)3-4-19-16-10-20-15-9-18-5-6-22(15)16/h1-2,5-7,9-10,19H,3-4,8,11H2,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazo[1,2-a]pyrazin-3-ylamino)propanamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazo[1,2-a]pyrazin-3-ylamino)propanamide has a molecular weight of 339.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazo[1,2-a]pyrazin-3-ylamino)propanamide is sourced from PubChem (CID 53039656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).