N-[6-(difluoromethoxy)-3-pyridinyl]-4-imidazol-1-ylpyrimidine-2-carboxamide

C14H10F2N6O2 — CID 166481282

IUPACN-[6-(difluoromethoxy)-3-pyridinyl]-4-imidazol-1-ylpyrimidine-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)nc1)c1nccc(-n2ccnc2)n1
InChIInChI=1S/C14H10F2N6O2/c15-14(16)24-11-2-1-9(7-19-11)20-13(23)12-18-4-3-10(21-12)22-6-5-17-8-22/h1-8,14H,(H,20,23)
InChIKeyDEYACMNLVHHUNC-UHFFFAOYSA-N
MW332.27 g/mol
LogP1.91
Rot. Bonds5

About N-[6-(difluoromethoxy)-3-pyridinyl]-4-imidazol-1-ylpyrimidine-2-carboxamide

N-[6-(difluoromethoxy)-3-pyridinyl]-4-imidazol-1-ylpyrimidine-2-carboxamide (PubChem CID 166481282) has the molecular formula C14H10F2N6O2 and a molecular weight of 332.27 g/mol. Its IUPAC name is N-[6-(difluoromethoxy)-3-pyridinyl]-4-imidazol-1-ylpyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(difluoromethoxy)-3-pyridinyl]-4-imidazol-1-ylpyrimidine-2-carboxamide
PubChem CID166481282
Molecular FormulaC14H10F2N6O2
Molecular Weight332.27 g/mol
Exact Mass332.08
IUPAC NameN-[6-(difluoromethoxy)-3-pyridinyl]-4-imidazol-1-ylpyrimidine-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)nc1)c1nccc(-n2ccnc2)n1
InChIInChI=1S/C14H10F2N6O2/c15-14(16)24-11-2-1-9(7-19-11)20-13(23)12-18-4-3-10(21-12)22-6-5-17-8-22/h1-8,14H,(H,20,23)
InChIKeyDEYACMNLVHHUNC-UHFFFAOYSA-N
XLogP1.91
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-imidazol-1-yl-N-(6-methoxy-3-pyridinyl)benzamide
CID 31532934
N-[(1S,3S)-3-hydroxycyclopentyl]-4-imidazol-1-ylpyrimidine-2-carboxamide
CID 166481422
N-(6-imidazol-1-yl-3-pyridinyl)-1H-pyrazole-4-carboxamide
CID 60965851
N-cyclohexyl-4-imidazol-1-ylpyrimidine-2-carboxamide;molecular hydrogen;trifluoromethanol
CID 166480997
N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide
CID 35437698
N-(6-imidazol-1-yl-3-pyridinyl)-2-phenoxybenzamide
CID 39567819
2-chloro-N-(6-imidazol-1-yl-3-pyridinyl)furan-3-carboxamide
CID 106685994
2-[[6-(difluoromethoxy)-3-pyridinyl]amino]pyrimidine-4-carboxylic acid;ethane
CID 142362010
6-imidazol-1-yl-N-phenylpyridine-2-carboxamide
CID 97260029
6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide
CID 166481334
1-[3-(difluoromethoxy)phenyl]-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306276
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-imidazol-1-ylpyrimidine-2-carboxamide
CID 166481322

Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethoxy)-3-pyridinyl]-4-imidazol-1-ylpyrimidine-2-carboxamide?
The IUPAC name of N-[6-(difluoromethoxy)-3-pyridinyl]-4-imidazol-1-ylpyrimidine-2-carboxamide (CID 166481282) is N-[6-(difluoromethoxy)-3-pyridinyl]-4-imidazol-1-ylpyrimidine-2-carboxamide.
What is the SMILES notation for N-[6-(difluoromethoxy)-3-pyridinyl]-4-imidazol-1-ylpyrimidine-2-carboxamide?
The canonical SMILES for N-[6-(difluoromethoxy)-3-pyridinyl]-4-imidazol-1-ylpyrimidine-2-carboxamide is O=C(Nc1ccc(OC(F)F)nc1)c1nccc(-n2ccnc2)n1.
What is the InChIKey of N-[6-(difluoromethoxy)-3-pyridinyl]-4-imidazol-1-ylpyrimidine-2-carboxamide?
The InChIKey is DEYACMNLVHHUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N6O2/c15-14(16)24-11-2-1-9(7-19-11)20-13(23)12-18-4-3-10(21-12)22-6-5-17-8-22/h1-8,14H,(H,20,23).
What are the key properties of N-[6-(difluoromethoxy)-3-pyridinyl]-4-imidazol-1-ylpyrimidine-2-carboxamide?
N-[6-(difluoromethoxy)-3-pyridinyl]-4-imidazol-1-ylpyrimidine-2-carboxamide has a molecular weight of 332.27 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethoxy)-3-pyridinyl]-4-imidazol-1-ylpyrimidine-2-carboxamide is sourced from PubChem (CID 166481282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).