N-cyclohexyl-4-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-2-yl]-2-methylpyrimidine-5-carboxamide

C21H33N5O2 — CID 110085066

IUPACN-cyclohexyl-4-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-2-yl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CCCCC2)c(C2CCCCN2CC(=O)N(C)C)n1
InChIInChI=1S/C21H33N5O2/c1-15-22-13-17(21(28)24-16-9-5-4-6-10-16)20(23-15)18-11-7-8-12-26(18)14-19(27)25(2)3/h13,16,18H,4-12,14H2,1-3H3,(H,24,28)
InChIKeyRVCRCGMAWUESSX-UHFFFAOYSA-N
MW387.53 g/mol
LogP2.46
Rot. Bonds5

About N-cyclohexyl-4-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-2-yl]-2-methylpyrimidine-5-carboxamide

N-cyclohexyl-4-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-2-yl]-2-methylpyrimidine-5-carboxamide (PubChem CID 110085066) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-cyclohexyl-4-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-2-yl]-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-2-yl]-2-methylpyrimidine-5-carboxamide
PubChem CID110085066
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC NameN-cyclohexyl-4-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-2-yl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CCCCC2)c(C2CCCCN2CC(=O)N(C)C)n1
InChIInChI=1S/C21H33N5O2/c1-15-22-13-17(21(28)24-16-9-5-4-6-10-16)20(23-15)18-11-7-8-12-26(18)14-19(27)25(2)3/h13,16,18H,4-12,14H2,1-3H3,(H,24,28)
InChIKeyRVCRCGMAWUESSX-UHFFFAOYSA-N
XLogP2.46
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-[(2R)-1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 92640403
N-cyclopropyl-4-[1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 110085045
N-benzyl-4-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 110085118
4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide
CID 124959856
N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide
CID 66877554
4-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]-N-cyclopropyl-2-methylpyrimidine-5-carboxamide
CID 110085100
N-cyclohexyl-2-methyl-4-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 110248299
N-cyclohexyl-4-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 92640451
N,N-diethyl-2-[(2R)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide
CID 92640454
2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-N-methylacetamide
CID 110116753
4-[(2R)-1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-5-carboxamide
CID 92640575
4-[1-(1-benzofuran-2-carbonyl)pyrrolidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide
CID 110085080

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-2-yl]-2-methylpyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-4-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-2-yl]-2-methylpyrimidine-5-carboxamide (CID 110085066) is N-cyclohexyl-4-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-2-yl]-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-2-yl]-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-2-yl]-2-methylpyrimidine-5-carboxamide is Cc1ncc(C(=O)NC2CCCCC2)c(C2CCCCN2CC(=O)N(C)C)n1.
What is the InChIKey of N-cyclohexyl-4-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-2-yl]-2-methylpyrimidine-5-carboxamide?
The InChIKey is RVCRCGMAWUESSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-15-22-13-17(21(28)24-16-9-5-4-6-10-16)20(23-15)18-11-7-8-12-26(18)14-19(27)25(2)3/h13,16,18H,4-12,14H2,1-3H3,(H,24,28).
What are the key properties of N-cyclohexyl-4-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-2-yl]-2-methylpyrimidine-5-carboxamide?
N-cyclohexyl-4-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-2-yl]-2-methylpyrimidine-5-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-2-yl]-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 110085066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).