2-tert-butyl-4-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-6-oxo-1H-pyrimidine-5-carboxamide

C22H24N4O3 — CID 166220726

IUPAC2-tert-butyl-4-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3c(C)nc(C(C)(C)C)[nH]c3=O)cn2)cc1
InChIInChI=1S/C22H24N4O3/c1-13-6-9-16(10-7-13)29-17-11-8-15(12-23-17)25-19(27)18-14(2)24-21(22(3,4)5)26-20(18)28/h6-12H,1-5H3,(H,25,27)(H,24,26,28)
InChIKeyYAHYLHDVRMWZQG-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.12
Rot. Bonds4

About 2-tert-butyl-4-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-tert-butyl-4-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 166220726) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID166220726
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-tert-butyl-4-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3c(C)nc(C(C)(C)C)[nH]c3=O)cn2)cc1
InChIInChI=1S/C22H24N4O3/c1-13-6-9-16(10-7-13)29-17-11-8-15(12-23-17)25-19(27)18-14(2)24-21(22(3,4)5)26-20(18)28/h6-12H,1-5H3,(H,25,27)(H,24,26,28)
InChIKeyYAHYLHDVRMWZQG-UHFFFAOYSA-N
XLogP4.12
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 90317472
1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea
CID 2814280
5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 166200539
3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide
CID 119852373
2-[[6-(4-tert-butylphenoxy)-3-pyridinyl]carbamoyl]benzoic acid
CID 2814281
2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[6-(4-methylphenoxy)-3-pyridinyl]acetamide
CID 167945612
N-[6-(4-methylphenoxy)-3-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55787787
2-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 137016729
2-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 86891552
1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 94734823
4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119852380

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-4-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 166220726) is 2-tert-butyl-4-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-4-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-4-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ccc(Oc2ccc(NC(=O)c3c(C)nc(C(C)(C)C)[nH]c3=O)cn2)cc1.
What is the InChIKey of 2-tert-butyl-4-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is YAHYLHDVRMWZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-13-6-9-16(10-7-13)29-17-11-8-15(12-23-17)25-19(27)18-14(2)24-21(22(3,4)5)26-20(18)28/h6-12H,1-5H3,(H,25,27)(H,24,26,28).
What are the key properties of 2-tert-butyl-4-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-tert-butyl-4-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 166220726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).