N-[3-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]carbamoyl]phenyl]pyridine-3-carboxamide

C25H23N5O4 — CID 46411069

IUPACN-[3-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCC1(CCc2ccccc2)NC(=O)N(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)C1=O
InChIInChI=1S/C25H23N5O4/c1-25(13-12-17-7-3-2-4-8-17)23(33)30(24(34)28-25)29-22(32)18-9-5-11-20(15-18)27-21(31)19-10-6-14-26-16-19/h2-11,14-16H,12-13H2,1H3,(H,27,31)(H,28,34)(H,29,32)
InChIKeyKCDNWSVSLRVDIW-UHFFFAOYSA-N
MW457.49 g/mol
LogP2.92
Rot. Bonds7

About N-[3-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]carbamoyl]phenyl]pyridine-3-carboxamide

N-[3-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 46411069) has the molecular formula C25H23N5O4 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-[3-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID46411069
Molecular FormulaC25H23N5O4
Molecular Weight457.49 g/mol
Exact Mass457.18
IUPAC NameN-[3-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCC1(CCc2ccccc2)NC(=O)N(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)C1=O
InChIInChI=1S/C25H23N5O4/c1-25(13-12-17-7-3-2-4-8-17)23(33)30(24(34)28-25)29-22(32)18-9-5-11-20(15-18)27-21(31)19-10-6-14-26-16-19/h2-11,14-16H,12-13H2,1H3,(H,27,31)(H,28,34)(H,29,32)
InChIKeyKCDNWSVSLRVDIW-UHFFFAOYSA-N
XLogP2.92
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]pyridine-4-carboxamide
CID 31434970
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide
CID 40972041
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-methylsulfonylbenzamide
CID 42920186
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-pyrrol-1-ylbenzamide
CID 9266876
2,3-dimethyl-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-indole-5-carboxamide
CID 31341167
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55628524
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 26162903
4-(ethylsulfamoyl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 55440908
3-[[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide
CID 55857736
4-methyl-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 41209789
N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide
CID 167788659

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]carbamoyl]phenyl]pyridine-3-carboxamide (CID 46411069) is N-[3-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]carbamoyl]phenyl]pyridine-3-carboxamide is CC1(CCc2ccccc2)NC(=O)N(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)C1=O.
What is the InChIKey of N-[3-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is KCDNWSVSLRVDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4/c1-25(13-12-17-7-3-2-4-8-17)23(33)30(24(34)28-25)29-22(32)18-9-5-11-20(15-18)27-21(31)19-10-6-14-26-16-19/h2-11,14-16H,12-13H2,1H3,(H,27,31)(H,28,34)(H,29,32).
What are the key properties of N-[3-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]carbamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 46411069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).