N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-4-carboxamide

C18H18N4O4 — CID 46969235

IUPACN-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCC1(C)NC(=O)N(Cc2ccc(NC(=O)c3cc[nH]c(=O)c3)cc2)C1=O
InChIInChI=1S/C18H18N4O4/c1-18(2)16(25)22(17(26)21-18)10-11-3-5-13(6-4-11)20-15(24)12-7-8-19-14(23)9-12/h3-9H,10H2,1-2H3,(H,19,23)(H,20,24)(H,21,26)
InChIKeyWIYXFOOWHPFCFD-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.46
Rot. Bonds4

About N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-4-carboxamide

N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 46969235) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-4-carboxamide
PubChem CID46969235
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCC1(C)NC(=O)N(Cc2ccc(NC(=O)c3cc[nH]c(=O)c3)cc2)C1=O
InChIInChI=1S/C18H18N4O4/c1-18(2)16(25)22(17(26)21-18)10-11-3-5-13(6-4-11)20-15(24)12-7-8-19-14(23)9-12/h3-9H,10H2,1-2H3,(H,19,23)(H,20,24)(H,21,26)
InChIKeyWIYXFOOWHPFCFD-UHFFFAOYSA-N
XLogP1.46
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S,6S)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 98138035
3-[(4-aminophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 5200341
N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(3-fluorophenoxy)propanamide
CID 46969735
2-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]hydrazinylidene]propanedinitrile
CID 169339198
4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide
CID 4877614
4-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 7182046
4-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]-N-phenylbenzamide
CID 97021801
(3R)-N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 51591237
3-[(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-phenylbenzamide
CID 78903832
N-(3,4-dimethoxyphenyl)-4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide
CID 91908465
N-[4-(cyanomethyl)phenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7995035
3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 30551380

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-4-carboxamide (CID 46969235) is N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-4-carboxamide is CC1(C)NC(=O)N(Cc2ccc(NC(=O)c3cc[nH]c(=O)c3)cc2)C1=O.
What is the InChIKey of N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is WIYXFOOWHPFCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-18(2)16(25)22(17(26)21-18)10-11-3-5-13(6-4-11)20-15(24)12-7-8-19-14(23)9-12/h3-9H,10H2,1-2H3,(H,19,23)(H,20,24)(H,21,26).
What are the key properties of N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-4-carboxamide?
N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 46969235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).