[5-[2-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]-2-oxo-1H-pyridin-3-yl]carbamic acid

C22H22N4O4 — CID 118251433

IUPAC[5-[2-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]-2-oxo-1H-pyridin-3-yl]carbamic acid
SMILESCc1cc(NC(=O)c2cc(-c3c[nH]c(=O)c(NC(=O)O)c3)ccn2)ccc1C(C)C
InChIInChI=1S/C22H22N4O4/c1-12(2)17-5-4-16(8-13(17)3)25-21(28)18-9-14(6-7-23-18)15-10-19(26-22(29)30)20(27)24-11-15/h4-12,26H,1-3H3,(H,24,27)(H,25,28)(H,29,30)
InChIKeyGIIDQLUJOORSPS-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.21
Rot. Bonds5

About [5-[2-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]-2-oxo-1H-pyridin-3-yl]carbamic acid

[5-[2-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]-2-oxo-1H-pyridin-3-yl]carbamic acid (PubChem CID 118251433) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is [5-[2-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]-2-oxo-1H-pyridin-3-yl]carbamic acid.

Molecular Properties

Compound Name[5-[2-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]-2-oxo-1H-pyridin-3-yl]carbamic acid
PubChem CID118251433
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name[5-[2-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]-2-oxo-1H-pyridin-3-yl]carbamic acid
SMILESCc1cc(NC(=O)c2cc(-c3c[nH]c(=O)c(NC(=O)O)c3)ccn2)ccc1C(C)C
InChIInChI=1S/C22H22N4O4/c1-12(2)17-5-4-16(8-13(17)3)25-21(28)18-9-14(6-7-23-18)15-10-19(26-22(29)30)20(27)24-11-15/h4-12,26H,1-3H3,(H,24,27)(H,25,28)(H,29,30)
InChIKeyGIIDQLUJOORSPS-UHFFFAOYSA-N
XLogP4.21
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [5-[2-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]-2-oxo-1H-pyridin-3-yl]carbamic acid with MolForge

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Related Compounds

2-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)propanamide
CID 23339831
3-cyclopropyl-N-(3-methyl-4-propan-2-ylphenyl)-5-[6-oxo-5-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-3-yl]benzamide
CID 118251233
3-cyclopropyl-N-(3-methyl-4-propan-2-ylphenyl)-5-[6-oxo-5-[(1-prop-2-enylazetidin-3-yl)amino]-1H-pyridin-3-yl]benzamide
CID 144894296
N-(3,4-dimethylphenyl)-4-methylpyridine-2-carboxamide
CID 110857354
N-methyl-4-[methyl-[[2-methyl-5-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]amino]pyridine-2-carboxamide
CID 58826527
2-N-(3,4-dimethylphenyl)-4-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109091918
4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-2-carboxamide
CID 113290191
N-(3,4-dimethylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147318
5-methyl-N-(3-methyl-4-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 155518641
4-(2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109219027
N-(4-acetamidophenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109220437
3-ethyl-N-(3-methyl-4-propan-2-ylphenyl)benzamide
CID 142077467

Frequently Asked Questions

What is the IUPAC name of [5-[2-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]-2-oxo-1H-pyridin-3-yl]carbamic acid?
The IUPAC name of [5-[2-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]-2-oxo-1H-pyridin-3-yl]carbamic acid (CID 118251433) is [5-[2-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]-2-oxo-1H-pyridin-3-yl]carbamic acid.
What is the SMILES notation for [5-[2-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]-2-oxo-1H-pyridin-3-yl]carbamic acid?
The canonical SMILES for [5-[2-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]-2-oxo-1H-pyridin-3-yl]carbamic acid is Cc1cc(NC(=O)c2cc(-c3c[nH]c(=O)c(NC(=O)O)c3)ccn2)ccc1C(C)C.
What is the InChIKey of [5-[2-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]-2-oxo-1H-pyridin-3-yl]carbamic acid?
The InChIKey is GIIDQLUJOORSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-12(2)17-5-4-16(8-13(17)3)25-21(28)18-9-14(6-7-23-18)15-10-19(26-22(29)30)20(27)24-11-15/h4-12,26H,1-3H3,(H,24,27)(H,25,28)(H,29,30).
What are the key properties of [5-[2-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]-2-oxo-1H-pyridin-3-yl]carbamic acid?
[5-[2-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]-2-oxo-1H-pyridin-3-yl]carbamic acid has a molecular weight of 406.44 g/mol, XLogP of 4.21, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]-2-oxo-1H-pyridin-3-yl]carbamic acid is sourced from PubChem (CID 118251433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).