2-oxo-4-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrimidine-6-carboxamide

C20H20N4O2 — CID 110332451

IUPAC2-oxo-4-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrimidine-6-carboxamide
SMILESCC(C)c1ccc(-c2cc(C(=O)NCc3cccnc3)[nH]c(=O)n2)cc1
InChIInChI=1S/C20H20N4O2/c1-13(2)15-5-7-16(8-6-15)17-10-18(24-20(26)23-17)19(25)22-12-14-4-3-9-21-11-14/h3-11,13H,12H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyIKXJUKJTSJGZIP-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.89
Rot. Bonds5

About 2-oxo-4-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrimidine-6-carboxamide

2-oxo-4-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrimidine-6-carboxamide (PubChem CID 110332451) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-oxo-4-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-oxo-4-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrimidine-6-carboxamide
PubChem CID110332451
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-oxo-4-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrimidine-6-carboxamide
SMILESCC(C)c1ccc(-c2cc(C(=O)NCc3cccnc3)[nH]c(=O)n2)cc1
InChIInChI=1S/C20H20N4O2/c1-13(2)15-5-7-16(8-6-15)17-10-18(24-20(26)23-17)19(25)22-12-14-4-3-9-21-11-14/h3-11,13H,12H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyIKXJUKJTSJGZIP-UHFFFAOYSA-N
XLogP2.89
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide
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5-N-(4-propan-2-ylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
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7-methyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
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2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 25236333
2-(2-methoxy-5-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide
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3-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide
CID 166191085
4-benzyl-3,5-dioxo-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 46005493
4-(3-methylbutanoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 3712359
3-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42758604
2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 110694215

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrimidine-6-carboxamide?
The IUPAC name of 2-oxo-4-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrimidine-6-carboxamide (CID 110332451) is 2-oxo-4-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 2-oxo-4-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 2-oxo-4-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrimidine-6-carboxamide is CC(C)c1ccc(-c2cc(C(=O)NCc3cccnc3)[nH]c(=O)n2)cc1.
What is the InChIKey of 2-oxo-4-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrimidine-6-carboxamide?
The InChIKey is IKXJUKJTSJGZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13(2)15-5-7-16(8-6-15)17-10-18(24-20(26)23-17)19(25)22-12-14-4-3-9-21-11-14/h3-11,13H,12H2,1-2H3,(H,22,25)(H,23,24,26).
What are the key properties of 2-oxo-4-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrimidine-6-carboxamide?
2-oxo-4-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrimidine-6-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 110332451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).