N-(4-methoxyphenyl)-2,6-dioxo-1-phenyl-3-(pyridine-4-carbonylamino)-1,3-diazinane-4-carboxamide

C24H21N5O5 — CID 3702169

IUPACN-(4-methoxyphenyl)-2,6-dioxo-1-phenyl-3-(pyridine-4-carbonylamino)-1,3-diazinane-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C(=O)N2NC(=O)c2ccncc2)cc1
InChIInChI=1S/C24H21N5O5/c1-34-19-9-7-17(8-10-19)26-23(32)20-15-21(30)28(18-5-3-2-4-6-18)24(33)29(20)27-22(31)16-11-13-25-14-12-16/h2-14,20H,15H2,1H3,(H,26,32)(H,27,31)
InChIKeyHUCCTFODWZYTSO-UHFFFAOYSA-N
MW459.46 g/mol
LogP2.60
Rot. Bonds6

About N-(4-methoxyphenyl)-2,6-dioxo-1-phenyl-3-(pyridine-4-carbonylamino)-1,3-diazinane-4-carboxamide

N-(4-methoxyphenyl)-2,6-dioxo-1-phenyl-3-(pyridine-4-carbonylamino)-1,3-diazinane-4-carboxamide (PubChem CID 3702169) has the molecular formula C24H21N5O5 and a molecular weight of 459.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2,6-dioxo-1-phenyl-3-(pyridine-4-carbonylamino)-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2,6-dioxo-1-phenyl-3-(pyridine-4-carbonylamino)-1,3-diazinane-4-carboxamide
PubChem CID3702169
Molecular FormulaC24H21N5O5
Molecular Weight459.46 g/mol
Exact Mass459.15
IUPAC NameN-(4-methoxyphenyl)-2,6-dioxo-1-phenyl-3-(pyridine-4-carbonylamino)-1,3-diazinane-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C(=O)N2NC(=O)c2ccncc2)cc1
InChIInChI=1S/C24H21N5O5/c1-34-19-9-7-17(8-10-19)26-23(32)20-15-21(30)28(18-5-3-2-4-6-18)24(33)29(20)27-22(31)16-11-13-25-14-12-16/h2-14,20H,15H2,1H3,(H,26,32)(H,27,31)
InChIKeyHUCCTFODWZYTSO-UHFFFAOYSA-N
XLogP2.60
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-Isonicotinoylpiperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 44468933
N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 5219821
1-isonicotinoyl-N-(4-methoxyphenyl)-3-piperidinamine
CID 24816856
N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
CID 2962313
N-[(3R)-3-[4-[4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]anilino]piperidin-1-yl]butyl]-3,5-dimethylpyridine-4-carboxamide
CID 44511966
N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-3-(4-pyridinylmethyl)-2-thioxo-4-imidazolidinyl]acetamide
CID 2936303
2-[1-benzyl-5-oxo-3-(3-pyridinylmethyl)-2-thioxo-4-imidazolidinyl]-N-(4-methoxyphenyl)acetamide
CID 2949800
N-(4-methoxyphenyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
CID 3234592
N-(4-methoxyphenyl)-9-(pyridine-4-carbonyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 3234865
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 31568455
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
CID 44399215
N-(2-(4-methoxyphenyl)-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)isonicotinamide
CID 44586717

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2,6-dioxo-1-phenyl-3-(pyridine-4-carbonylamino)-1,3-diazinane-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2,6-dioxo-1-phenyl-3-(pyridine-4-carbonylamino)-1,3-diazinane-4-carboxamide (CID 3702169) is N-(4-methoxyphenyl)-2,6-dioxo-1-phenyl-3-(pyridine-4-carbonylamino)-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2,6-dioxo-1-phenyl-3-(pyridine-4-carbonylamino)-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2,6-dioxo-1-phenyl-3-(pyridine-4-carbonylamino)-1,3-diazinane-4-carboxamide is COc1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C(=O)N2NC(=O)c2ccncc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2,6-dioxo-1-phenyl-3-(pyridine-4-carbonylamino)-1,3-diazinane-4-carboxamide?
The InChIKey is HUCCTFODWZYTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O5/c1-34-19-9-7-17(8-10-19)26-23(32)20-15-21(30)28(18-5-3-2-4-6-18)24(33)29(20)27-22(31)16-11-13-25-14-12-16/h2-14,20H,15H2,1H3,(H,26,32)(H,27,31).
What are the key properties of N-(4-methoxyphenyl)-2,6-dioxo-1-phenyl-3-(pyridine-4-carbonylamino)-1,3-diazinane-4-carboxamide?
N-(4-methoxyphenyl)-2,6-dioxo-1-phenyl-3-(pyridine-4-carbonylamino)-1,3-diazinane-4-carboxamide has a molecular weight of 459.46 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2,6-dioxo-1-phenyl-3-(pyridine-4-carbonylamino)-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 3702169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).