1,3-dimethyl-2,6-dioxo-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

C19H21F3N4O3 — CID 46969268

IUPAC1,3-dimethyl-2,6-dioxo-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCn1c(C(=O)Nc2ccc(N3CCCCC3)c(C(F)(F)F)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H21F3N4O3/c1-24-15(11-16(27)25(2)18(24)29)17(28)23-12-6-7-14(13(10-12)19(20,21)22)26-8-4-3-5-9-26/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,23,28)
InChIKeyMAQXCVXEJCUFCN-UHFFFAOYSA-N
MW410.40 g/mol
LogP2.35
Rot. Bonds3

About 1,3-dimethyl-2,6-dioxo-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

1,3-dimethyl-2,6-dioxo-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 46969268) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is 1,3-dimethyl-2,6-dioxo-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2,6-dioxo-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID46969268
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC Name1,3-dimethyl-2,6-dioxo-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCn1c(C(=O)Nc2ccc(N3CCCCC3)c(C(F)(F)F)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H21F3N4O3/c1-24-15(11-16(27)25(2)18(24)29)17(28)23-12-6-7-14(13(10-12)19(20,21)22)26-8-4-3-5-9-26/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,23,28)
InChIKeyMAQXCVXEJCUFCN-UHFFFAOYSA-N
XLogP2.35
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-methyl-6-oxo-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 46972203
2-methyl-N-[4-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]propanamide
CID 143229752
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226611
2-methyl-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 46971969
N-cyclohexyl-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 42659847
N-(3-bromophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide;N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
CID 159223367
5-[[3,5-bis(trifluoromethyl)benzoyl]amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 3950212
1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine
CID 58412701
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 38117199
N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
4-methyl-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 11341590
N-[4-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782409

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,6-dioxo-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-2,6-dioxo-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (CID 46969268) is 1,3-dimethyl-2,6-dioxo-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2,6-dioxo-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-2,6-dioxo-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is Cn1c(C(=O)Nc2ccc(N3CCCCC3)c(C(F)(F)F)c2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,6-dioxo-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is MAQXCVXEJCUFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c1-24-15(11-16(27)25(2)18(24)29)17(28)23-12-6-7-14(13(10-12)19(20,21)22)26-8-4-3-5-9-26/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,23,28).
What are the key properties of 1,3-dimethyl-2,6-dioxo-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
1,3-dimethyl-2,6-dioxo-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 410.40 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,6-dioxo-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 46969268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).