(2R)-2-[(8aS)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]-N,N-diethyl-2-phenylacetamide

C19H25N3O3 — CID 99788804

IUPAC(2R)-2-[(8aS)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)[C@@H](c1ccccc1)N1C(=O)[C@@H]2CCCCN2C1=O
InChIInChI=1S/C19H25N3O3/c1-3-20(4-2)18(24)16(14-10-6-5-7-11-14)22-17(23)15-12-8-9-13-21(15)19(22)25/h5-7,10-11,15-16H,3-4,8-9,12-13H2,1-2H3/t15-,16+/m0/s1
InChIKeyWAEBLMXDXYGHMZ-JKSUJKDBSA-N
MW343.43 g/mol
LogP2.41
Rot. Bonds5

About (2R)-2-[(8aS)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]-N,N-diethyl-2-phenylacetamide

(2R)-2-[(8aS)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]-N,N-diethyl-2-phenylacetamide (PubChem CID 99788804) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2R)-2-[(8aS)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]-N,N-diethyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[(8aS)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]-N,N-diethyl-2-phenylacetamide
PubChem CID99788804
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(2R)-2-[(8aS)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)[C@@H](c1ccccc1)N1C(=O)[C@@H]2CCCCN2C1=O
InChIInChI=1S/C19H25N3O3/c1-3-20(4-2)18(24)16(14-10-6-5-7-11-14)22-17(23)15-12-8-9-13-21(15)19(22)25/h5-7,10-11,15-16H,3-4,8-9,12-13H2,1-2H3/t15-,16+/m0/s1
InChIKeyWAEBLMXDXYGHMZ-JKSUJKDBSA-N
XLogP2.41
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(8aS)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]-N,N-diethyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[(8aS)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]-N,N-diethyl-2-phenylacetamide (CID 99788804) is (2R)-2-[(8aS)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]-N,N-diethyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[(8aS)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]-N,N-diethyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[(8aS)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]-N,N-diethyl-2-phenylacetamide is CCN(CC)C(=O)[C@@H](c1ccccc1)N1C(=O)[C@@H]2CCCCN2C1=O.
What is the InChIKey of (2R)-2-[(8aS)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]-N,N-diethyl-2-phenylacetamide?
The InChIKey is WAEBLMXDXYGHMZ-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-20(4-2)18(24)16(14-10-6-5-7-11-14)22-17(23)15-12-8-9-13-21(15)19(22)25/h5-7,10-11,15-16H,3-4,8-9,12-13H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of (2R)-2-[(8aS)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]-N,N-diethyl-2-phenylacetamide?
(2R)-2-[(8aS)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]-N,N-diethyl-2-phenylacetamide has a molecular weight of 343.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(8aS)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]-N,N-diethyl-2-phenylacetamide is sourced from PubChem (CID 99788804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).