N-(2-chloro-3-pyridinyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide

C19H17ClN4O3 — CID 4289491

IUPACN-(2-chloro-3-pyridinyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)Nc1cccnc1Cl
InChIInChI=1S/C19H17ClN4O3/c20-16-14(8-4-10-21-16)22-15(25)11-24-17(26)19(23-18(24)27)9-3-6-12-5-1-2-7-13(12)19/h1-2,4-5,7-8,10H,3,6,9,11H2,(H,22,25)(H,23,27)
InChIKeyMTUFOLGQMNQJDJ-UHFFFAOYSA-N
MW384.82 g/mol
LogP2.46
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide

N-(2-chloro-3-pyridinyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 4289491) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
PubChem CID4289491
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC NameN-(2-chloro-3-pyridinyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)Nc1cccnc1Cl
InChIInChI=1S/C19H17ClN4O3/c20-16-14(8-4-10-21-16)22-15(25)11-24-17(26)19(23-18(24)27)9-3-6-12-5-1-2-7-13(12)19/h1-2,4-5,7-8,10H,3,6,9,11H2,(H,22,25)(H,23,27)
InChIKeyMTUFOLGQMNQJDJ-UHFFFAOYSA-N
XLogP2.46
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide
CID 2706018
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-fluorophenyl)acetamide
CID 2680854
N-(2,6-dichlorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2473930
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-ethylphenyl)acetamide
CID 41077087
N-(3,4-dichlorophenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 4810149
N-(2-acetylphenyl)-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2702812
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 40857362
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7859107
N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7240543
N-(4-acetamidophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7168506
2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-phenylacetamide
CID 42964281
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 17450343

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide (CID 4289491) is N-(2-chloro-3-pyridinyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide is O=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide?
The InChIKey is MTUFOLGQMNQJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c20-16-14(8-4-10-21-16)22-15(25)11-24-17(26)19(23-18(24)27)9-3-6-12-5-1-2-7-13(12)19/h1-2,4-5,7-8,10H,3,6,9,11H2,(H,22,25)(H,23,27).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide?
N-(2-chloro-3-pyridinyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 384.82 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 4289491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).