5-bromo-N-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]pyrimidine-2-carboxamide

C17H11BrF2N4O — CID 139521632

IUPAC5-bromo-N-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc(Cc2ccc(F)c(F)c2)cn1)c1ncc(Br)cn1
InChIInChI=1S/C17H11BrF2N4O/c18-12-8-22-16(23-9-12)17(25)24-15-4-2-11(7-21-15)5-10-1-3-13(19)14(20)6-10/h1-4,6-9H,5H2,(H,21,24,25)
InChIKeyXOBQLFBWJSSIFS-UHFFFAOYSA-N
MW405.20 g/mol
LogP3.76
Rot. Bonds4

About 5-bromo-N-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]pyrimidine-2-carboxamide

5-bromo-N-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]pyrimidine-2-carboxamide (PubChem CID 139521632) has the molecular formula C17H11BrF2N4O and a molecular weight of 405.20 g/mol. Its IUPAC name is 5-bromo-N-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]pyrimidine-2-carboxamide
PubChem CID139521632
Molecular FormulaC17H11BrF2N4O
Molecular Weight405.20 g/mol
Exact Mass404.01
IUPAC Name5-bromo-N-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc(Cc2ccc(F)c(F)c2)cn1)c1ncc(Br)cn1
InChIInChI=1S/C17H11BrF2N4O/c18-12-8-22-16(23-9-12)17(25)24-15-4-2-11(7-21-15)5-10-1-3-13(19)14(20)6-10/h1-4,6-9H,5H2,(H,21,24,25)
InChIKeyXOBQLFBWJSSIFS-UHFFFAOYSA-N
XLogP3.76
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.20
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate
CID 139512431
5-[(3,4-difluorophenyl)methyl]-2-fluoropyridine
CID 143473669
N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 155700089
N-[5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 139522097
N-(5-bromo-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770718
5-amino-N-(5-bromo-2-pyridinyl)-2,4-difluorobenzamide
CID 61092770
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
N-(5-bromo-2-pyridinyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186827
N-[5-(aminomethyl)-2-pyridinyl]-2,4-difluorobenzamide
CID 62350431
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-5-fluoropyrimidine-2-carboxamide
CID 21072666
1-(5-bromo-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea
CID 108867750
N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 51285623

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]pyrimidine-2-carboxamide?
The IUPAC name of 5-bromo-N-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]pyrimidine-2-carboxamide (CID 139521632) is 5-bromo-N-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]pyrimidine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]pyrimidine-2-carboxamide is O=C(Nc1ccc(Cc2ccc(F)c(F)c2)cn1)c1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]pyrimidine-2-carboxamide?
The InChIKey is XOBQLFBWJSSIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrF2N4O/c18-12-8-22-16(23-9-12)17(25)24-15-4-2-11(7-21-15)5-10-1-3-13(19)14(20)6-10/h1-4,6-9H,5H2,(H,21,24,25).
What are the key properties of 5-bromo-N-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]pyrimidine-2-carboxamide?
5-bromo-N-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]pyrimidine-2-carboxamide has a molecular weight of 405.20 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 139521632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).