2-(3-methylphenyl)-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide

C19H18N4O2 — CID 70769275

IUPAC2-(3-methylphenyl)-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide
SMILESCc1cccc(-c2ncc(C(=O)NCCc3ccccn3)c(=O)[nH]2)c1
InChIInChI=1S/C19H18N4O2/c1-13-5-4-6-14(11-13)17-22-12-16(19(25)23-17)18(24)21-10-8-15-7-2-3-9-20-15/h2-7,9,11-12H,8,10H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyPACQDASZQNNQNH-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.11
Rot. Bonds5

About 2-(3-methylphenyl)-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide

2-(3-methylphenyl)-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 70769275) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(3-methylphenyl)-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide
PubChem CID70769275
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-(3-methylphenyl)-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide
SMILESCc1cccc(-c2ncc(C(=O)NCCc3ccccn3)c(=O)[nH]2)c1
InChIInChI=1S/C19H18N4O2/c1-13-5-4-6-14(11-13)17-22-12-16(19(25)23-17)18(24)21-10-8-15-7-2-3-9-20-15/h2-7,9,11-12H,8,10H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyPACQDASZQNNQNH-UHFFFAOYSA-N
XLogP2.11
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 70783959
2-(3-methylphenyl)-4-piperidin-1-yl-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide
CID 42670750
N-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 70725726
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 46652667
2,5-dichloro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 114917187
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72918666
2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 4784838
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide
CID 23627984
N-[4-(methylamino)-4-oxobutyl]-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 70765485
5-methyl-3-(3-methylphenyl)-N-(3-pyridin-2-ylpropyl)-1,2-oxazole-4-carboxamide
CID 46964091
4-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 81235207

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-methylphenyl)-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide (CID 70769275) is 2-(3-methylphenyl)-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-methylphenyl)-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-methylphenyl)-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide is Cc1cccc(-c2ncc(C(=O)NCCc3ccccn3)c(=O)[nH]2)c1.
What is the InChIKey of 2-(3-methylphenyl)-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is PACQDASZQNNQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-5-4-6-14(11-13)17-22-12-16(19(25)23-17)18(24)21-10-8-15-7-2-3-9-20-15/h2-7,9,11-12H,8,10H2,1H3,(H,21,24)(H,22,23,25).
What are the key properties of 2-(3-methylphenyl)-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide?
2-(3-methylphenyl)-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70769275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).