N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide

C18H21N3O2 — CID 136734003

IUPACN-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide
SMILESCc1cc(=O)[nH]c(-c2cccc(NC(=O)C3CCCCC3)c2)n1
InChIInChI=1S/C18H21N3O2/c1-12-10-16(22)21-17(19-12)14-8-5-9-15(11-14)20-18(23)13-6-3-2-4-7-13/h5,8-11,13H,2-4,6-7H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyNUNNAQLLNMLBPF-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.26
Rot. Bonds3

About N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide

N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide (PubChem CID 136734003) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide
PubChem CID136734003
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide
SMILESCc1cc(=O)[nH]c(-c2cccc(NC(=O)C3CCCCC3)c2)n1
InChIInChI=1S/C18H21N3O2/c1-12-10-16(22)21-17(19-12)14-8-5-9-15(11-14)20-18(23)13-6-3-2-4-7-13/h5,8-11,13H,2-4,6-7H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyNUNNAQLLNMLBPF-UHFFFAOYSA-N
XLogP3.26
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 136733997
2-hydroxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide
CID 136741983
(6S)-3-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 136833032
1-(4-bromophenyl)sulfonyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]piperidine-4-carboxamide
CID 136876982
cis-(1S,3R)-2,2-dimethyl-3-[[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 136887824
(2S,3S)-2-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 136804360
(3S)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]piperidine-3-carboxamide
CID 137168988
2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide
CID 136773095
N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 166261151
N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 138042321
4,5-dimethyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]thiophene-2-carboxamide
CID 136731179
3-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide
CID 137028902

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide (CID 136734003) is N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide is Cc1cc(=O)[nH]c(-c2cccc(NC(=O)C3CCCCC3)c2)n1.
What is the InChIKey of N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide?
The InChIKey is NUNNAQLLNMLBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-10-16(22)21-17(19-12)14-8-5-9-15(11-14)20-18(23)13-6-3-2-4-7-13/h5,8-11,13H,2-4,6-7H2,1H3,(H,20,23)(H,19,21,22).
What are the key properties of N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide?
N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 136734003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).