N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)acetamide

C15H22N6O3 — CID 95757827

IUPACN-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)acetamide
SMILESCC[C@]1(C)NC(=O)N(NC(=O)CN2CCc3c(ncn3C)C2)C1=O
InChIInChI=1S/C15H22N6O3/c1-4-15(2)13(23)21(14(24)17-15)18-12(22)8-20-6-5-11-10(7-20)16-9-19(11)3/h9H,4-8H2,1-3H3,(H,17,24)(H,18,22)/t15-/m0/s1
InChIKeyDUBKPDPBDDMAEJ-HNNXBMFYSA-N
MW334.38 g/mol
LogP-0.47
Rot. Bonds4

About N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)acetamide

N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)acetamide (PubChem CID 95757827) has the molecular formula C15H22N6O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)acetamide
PubChem CID95757827
Molecular FormulaC15H22N6O3
Molecular Weight334.38 g/mol
Exact Mass334.18
IUPAC NameN-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)acetamide
SMILESCC[C@]1(C)NC(=O)N(NC(=O)CN2CCc3c(ncn3C)C2)C1=O
InChIInChI=1S/C15H22N6O3/c1-4-15(2)13(23)21(14(24)17-15)18-12(22)8-20-6-5-11-10(7-20)16-9-19(11)3/h9H,4-8H2,1-3H3,(H,17,24)(H,18,22)/t15-/m0/s1
InChIKeyDUBKPDPBDDMAEJ-HNNXBMFYSA-N
XLogP-0.47
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)acetamide?
The IUPAC name of N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)acetamide (CID 95757827) is N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)acetamide is CC[C@]1(C)NC(=O)N(NC(=O)CN2CCc3c(ncn3C)C2)C1=O.
What is the InChIKey of N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)acetamide?
The InChIKey is DUBKPDPBDDMAEJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22N6O3/c1-4-15(2)13(23)21(14(24)17-15)18-12(22)8-20-6-5-11-10(7-20)16-9-19(11)3/h9H,4-8H2,1-3H3,(H,17,24)(H,18,22)/t15-/m0/s1.
What are the key properties of N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)acetamide?
N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)acetamide has a molecular weight of 334.38 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 95757827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).