N-(1-methyl-2-oxopyrimidin-4-yl)cyclohexanecarboxamide

C12H17N3O2 — CID 140669400

IUPACN-(1-methyl-2-oxopyrimidin-4-yl)cyclohexanecarboxamide
SMILESCn1ccc(NC(=O)C2CCCCC2)nc1=O
InChIInChI=1S/C12H17N3O2/c1-15-8-7-10(14-12(15)17)13-11(16)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,13,14,16,17)
InChIKeyCFRPACPHYZBRNC-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.30
Rot. Bonds2

About N-(1-methyl-2-oxopyrimidin-4-yl)cyclohexanecarboxamide

N-(1-methyl-2-oxopyrimidin-4-yl)cyclohexanecarboxamide (PubChem CID 140669400) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(1-methyl-2-oxopyrimidin-4-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxopyrimidin-4-yl)cyclohexanecarboxamide
PubChem CID140669400
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(1-methyl-2-oxopyrimidin-4-yl)cyclohexanecarboxamide
SMILESCn1ccc(NC(=O)C2CCCCC2)nc1=O
InChIInChI=1S/C12H17N3O2/c1-15-8-7-10(14-12(15)17)13-11(16)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,13,14,16,17)
InChIKeyCFRPACPHYZBRNC-UHFFFAOYSA-N
XLogP1.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(cyclohexanecarbonylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 5223932
N-(1-methylpyrazol-3-yl)cyclopropanecarboxamide
CID 19405001
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697
trans-(1S,3S)-3-[(1-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 129379175
N-quinolin-2-ylcyclopentanecarboxamide
CID 39959364
N-(1,5-dimethylpyrazol-3-yl)cyclopentanecarboxamide
CID 35761222
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-(5-cyclohexyl-1-methylpyrazol-3-yl)cyclobutanecarboxamide
CID 164792338
N-(5-iodo-6-methyl-2-pyridinyl)cyclobutanecarboxamide
CID 119042245
N-(1-methyl-6-oxo-3-pyridinyl)cyclobutanecarboxamide
CID 47341780
5-(cyclopentanecarbonylamino)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-3-carboxamide
CID 51999721
N-(6-chloro-5-methyl-2-pyridinyl)cyclopropanecarboxamide
CID 87276605

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxopyrimidin-4-yl)cyclohexanecarboxamide?
The IUPAC name of N-(1-methyl-2-oxopyrimidin-4-yl)cyclohexanecarboxamide (CID 140669400) is N-(1-methyl-2-oxopyrimidin-4-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1-methyl-2-oxopyrimidin-4-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(1-methyl-2-oxopyrimidin-4-yl)cyclohexanecarboxamide is Cn1ccc(NC(=O)C2CCCCC2)nc1=O.
What is the InChIKey of N-(1-methyl-2-oxopyrimidin-4-yl)cyclohexanecarboxamide?
The InChIKey is CFRPACPHYZBRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15-8-7-10(14-12(15)17)13-11(16)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,13,14,16,17).
What are the key properties of N-(1-methyl-2-oxopyrimidin-4-yl)cyclohexanecarboxamide?
N-(1-methyl-2-oxopyrimidin-4-yl)cyclohexanecarboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxopyrimidin-4-yl)cyclohexanecarboxamide is sourced from PubChem (CID 140669400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).