N-cyclooctyl-2-imidazol-1-ylpyrimidine-4-carboxamide

C16H21N5O — CID 170774237

IUPACN-cyclooctyl-2-imidazol-1-ylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCCCCC1)c1ccnc(-n2ccnc2)n1
InChIInChI=1S/C16H21N5O/c22-15(19-13-6-4-2-1-3-5-7-13)14-8-9-18-16(20-14)21-11-10-17-12-21/h8-13H,1-7H2,(H,19,22)
InChIKeyZOPLYEXKQKNJIW-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.51
Rot. Bonds3

About N-cyclooctyl-2-imidazol-1-ylpyrimidine-4-carboxamide

N-cyclooctyl-2-imidazol-1-ylpyrimidine-4-carboxamide (PubChem CID 170774237) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-cyclooctyl-2-imidazol-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-2-imidazol-1-ylpyrimidine-4-carboxamide
PubChem CID170774237
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-cyclooctyl-2-imidazol-1-ylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCCCCC1)c1ccnc(-n2ccnc2)n1
InChIInChI=1S/C16H21N5O/c22-15(19-13-6-4-2-1-3-5-7-13)14-8-9-18-16(20-14)21-11-10-17-12-21/h8-13H,1-7H2,(H,19,22)
InChIKeyZOPLYEXKQKNJIW-UHFFFAOYSA-N
XLogP2.51
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-imidazol-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclooctyl-2-imidazol-1-ylpyrimidine-4-carboxamide (CID 170774237) is N-cyclooctyl-2-imidazol-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclooctyl-2-imidazol-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclooctyl-2-imidazol-1-ylpyrimidine-4-carboxamide is O=C(NC1CCCCCCC1)c1ccnc(-n2ccnc2)n1.
What is the InChIKey of N-cyclooctyl-2-imidazol-1-ylpyrimidine-4-carboxamide?
The InChIKey is ZOPLYEXKQKNJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c22-15(19-13-6-4-2-1-3-5-7-13)14-8-9-18-16(20-14)21-11-10-17-12-21/h8-13H,1-7H2,(H,19,22).
What are the key properties of N-cyclooctyl-2-imidazol-1-ylpyrimidine-4-carboxamide?
N-cyclooctyl-2-imidazol-1-ylpyrimidine-4-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-imidazol-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 170774237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).