N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide

C15H23N3O — CID 66877554

IUPACN-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CCCCCCC2)c(C)n1
InChIInChI=1S/C15H23N3O/c1-11-14(10-16-12(2)17-11)15(19)18-13-8-6-4-3-5-7-9-13/h10,13H,3-9H2,1-2H3,(H,18,19)
InChIKeyMORVWZDMFTXWMG-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.94
Rot. Bonds2

About N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide

N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide (PubChem CID 66877554) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide
PubChem CID66877554
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CCCCCCC2)c(C)n1
InChIInChI=1S/C15H23N3O/c1-11-14(10-16-12(2)17-11)15(19)18-13-8-6-4-3-5-7-9-13/h10,13H,3-9H2,1-2H3,(H,18,19)
InChIKeyMORVWZDMFTXWMG-UHFFFAOYSA-N
XLogP2.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 53299094
N-cycloheptyl-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345525
N-[1-(benzenesulfonyl)piperidin-4-yl]-2,4-dimethylpyrimidine-5-carboxamide
CID 74238790
N-cyclohexyl-2-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpyrimidine-5-carboxamide
CID 66505793
N-cyclopentyl-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110848761
5-amino-N-cyclohexyl-2-methylpyridine-3-carboxamide
CID 61039080
N-cyclohexyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31852499
N-cyclohexyl-2-methylpyridine-3-carboxamide
CID 78951017
N-cyclooctyl-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81233984
N-cyclohexyl-2-methyl-6-phenylpyridine-3-carboxamide
CID 3410229
N-cyclohexyl-4-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 110085066
N-cyclohexyl-4-[(2R)-1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 92640403

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide (CID 66877554) is N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide is Cc1ncc(C(=O)NC2CCCCCCC2)c(C)n1.
What is the InChIKey of N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide?
The InChIKey is MORVWZDMFTXWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-14(10-16-12(2)17-11)15(19)18-13-8-6-4-3-5-7-9-13/h10,13H,3-9H2,1-2H3,(H,18,19).
What are the key properties of N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide?
N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 66877554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).