6-cyclobutyl-N-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide

C19H18F2N6O — CID 166481158

IUPAC6-cyclobutyl-N-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide
SMILESCn1cncc1-c1nc(C(=O)Nc2ccc(C(F)F)nc2)cc(C2CCC2)n1
InChIInChI=1S/C19H18F2N6O/c1-27-10-22-9-16(27)18-25-14(11-3-2-4-11)7-15(26-18)19(28)24-12-5-6-13(17(20)21)23-8-12/h5-11,17H,2-4H2,1H3,(H,24,28)
InChIKeyNLLOSLOBHVFZIJ-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.73
Rot. Bonds5

About 6-cyclobutyl-N-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide

6-cyclobutyl-N-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide (PubChem CID 166481158) has the molecular formula C19H18F2N6O and a molecular weight of 384.39 g/mol. Its IUPAC name is 6-cyclobutyl-N-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-cyclobutyl-N-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide
PubChem CID166481158
Molecular FormulaC19H18F2N6O
Molecular Weight384.39 g/mol
Exact Mass384.15
IUPAC Name6-cyclobutyl-N-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide
SMILESCn1cncc1-c1nc(C(=O)Nc2ccc(C(F)F)nc2)cc(C2CCC2)n1
InChIInChI=1S/C19H18F2N6O/c1-27-10-22-9-16(27)18-25-14(11-3-2-4-11)7-15(26-18)19(28)24-12-5-6-13(17(20)21)23-8-12/h5-11,17H,2-4H2,1H3,(H,24,28)
InChIKeyNLLOSLOBHVFZIJ-UHFFFAOYSA-N
XLogP3.73
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-N-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-cyclobutyl-N-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide (CID 166481158) is 6-cyclobutyl-N-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-cyclobutyl-N-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-cyclobutyl-N-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide is Cn1cncc1-c1nc(C(=O)Nc2ccc(C(F)F)nc2)cc(C2CCC2)n1.
What is the InChIKey of 6-cyclobutyl-N-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide?
The InChIKey is NLLOSLOBHVFZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O/c1-27-10-22-9-16(27)18-25-14(11-3-2-4-11)7-15(26-18)19(28)24-12-5-6-13(17(20)21)23-8-12/h5-11,17H,2-4H2,1H3,(H,24,28).
What are the key properties of 6-cyclobutyl-N-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide?
6-cyclobutyl-N-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-N-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 166481158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).