N-cyclooctyl-N,2-dimethylpyrimidine-4-carboxamide

C15H23N3O — CID 71934863

IUPACN-cyclooctyl-N,2-dimethylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)N(C)C2CCCCCCC2)n1
InChIInChI=1S/C15H23N3O/c1-12-16-11-10-14(17-12)15(19)18(2)13-8-6-4-3-5-7-9-13/h10-11,13H,3-9H2,1-2H3
InChIKeyDVFICIIXGMEPEG-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.97
Rot. Bonds2

About N-cyclooctyl-N,2-dimethylpyrimidine-4-carboxamide

N-cyclooctyl-N,2-dimethylpyrimidine-4-carboxamide (PubChem CID 71934863) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-cyclooctyl-N,2-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-N,2-dimethylpyrimidine-4-carboxamide
PubChem CID71934863
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-cyclooctyl-N,2-dimethylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)N(C)C2CCCCCCC2)n1
InChIInChI=1S/C15H23N3O/c1-12-16-11-10-14(17-12)15(19)18(2)13-8-6-4-3-5-7-9-13/h10-11,13H,3-9H2,1-2H3
InChIKeyDVFICIIXGMEPEG-UHFFFAOYSA-N
XLogP2.97
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-N,2-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclooctyl-N,2-dimethylpyrimidine-4-carboxamide (CID 71934863) is N-cyclooctyl-N,2-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclooctyl-N,2-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclooctyl-N,2-dimethylpyrimidine-4-carboxamide is Cc1nccc(C(=O)N(C)C2CCCCCCC2)n1.
What is the InChIKey of N-cyclooctyl-N,2-dimethylpyrimidine-4-carboxamide?
The InChIKey is DVFICIIXGMEPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-16-11-10-14(17-12)15(19)18(2)13-8-6-4-3-5-7-9-13/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-cyclooctyl-N,2-dimethylpyrimidine-4-carboxamide?
N-cyclooctyl-N,2-dimethylpyrimidine-4-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-N,2-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 71934863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).