6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

C23H29F3N6O4 — CID 126680663

IUPAC6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCOC[C@@H](C)Oc1nc(C(=O)NCC(F)(F)F)cc(N2CCC(c3ccc(C)c(C(N)=O)n3)CC2)n1
InChIInChI=1S/C23H29F3N6O4/c1-13-4-5-16(29-19(13)20(27)33)15-6-8-32(9-7-15)18-10-17(21(34)28-12-23(24,25)26)30-22(31-18)36-14(2)11-35-3/h4-5,10,14-15H,6-9,11-12H2,1-3H3,(H2,27,33)(H,28,34)/t14-/m1/s1
InChIKeyRMSWKOJBFVLAOF-CQSZACIVSA-N
MW510.52 g/mol
LogP2.37
Rot. Bonds9

About 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (PubChem CID 126680663) has the molecular formula C23H29F3N6O4 and a molecular weight of 510.52 g/mol. Its IUPAC name is 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
PubChem CID126680663
Molecular FormulaC23H29F3N6O4
Molecular Weight510.52 g/mol
Exact Mass510.22
IUPAC Name6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCOC[C@@H](C)Oc1nc(C(=O)NCC(F)(F)F)cc(N2CCC(c3ccc(C)c(C(N)=O)n3)CC2)n1
InChIInChI=1S/C23H29F3N6O4/c1-13-4-5-16(29-19(13)20(27)33)15-6-8-32(9-7-15)18-10-17(21(34)28-12-23(24,25)26)30-22(31-18)36-14(2)11-35-3/h4-5,10,14-15H,6-9,11-12H2,1-3H3,(H2,27,33)(H,28,34)/t14-/m1/s1
InChIKeyRMSWKOJBFVLAOF-CQSZACIVSA-N
XLogP2.37
TPSA132.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.52
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (CID 126680663) is 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is COC[C@@H](C)Oc1nc(C(=O)NCC(F)(F)F)cc(N2CCC(c3ccc(C)c(C(N)=O)n3)CC2)n1.
What is the InChIKey of 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is RMSWKOJBFVLAOF-CQSZACIVSA-N. The full InChI is InChI=1S/C23H29F3N6O4/c1-13-4-5-16(29-19(13)20(27)33)15-6-8-32(9-7-15)18-10-17(21(34)28-12-23(24,25)26)30-22(31-18)36-14(2)11-35-3/h4-5,10,14-15H,6-9,11-12H2,1-3H3,(H2,27,33)(H,28,34)/t14-/m1/s1.
What are the key properties of 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 510.52 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 126680663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).