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

C24H32F3N7O4 — CID 121409030

IUPAC6-[4-[6-carbamoyl-4-(dimethylamino)-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(c3cc(N(C)C)cc(C(N)=O)n3)CC2)n1
InChIInChI=1S/C24H32F3N7O4/c1-14(12-37-4)38-23-31-19(22(36)29-13-24(25,26)27)11-20(32-23)34-7-5-15(6-8-34)17-9-16(33(2)3)10-18(30-17)21(28)35/h9-11,14-15H,5-8,12-13H2,1-4H3,(H2,28,35)(H,29,36)/t14-/m1/s1
InChIKeyZYFTXLLFFTZMIC-CQSZACIVSA-N
MW539.56 g/mol
LogP2.13
Rot. Bonds10

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

6-[4-[6-carbamoyl-4-(dimethylamino)-2-pyridinyl]piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (PubChem CID 121409030) has the molecular formula C24H32F3N7O4 and a molecular weight of 539.56 g/mol. Its IUPAC name is 6-[4-[6-carbamoyl-4-(dimethylamino)-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-4-(dimethylamino)-2-pyridinyl]piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
PubChem CID121409030
Molecular FormulaC24H32F3N7O4
Molecular Weight539.56 g/mol
Exact Mass539.25
IUPAC Name6-[4-[6-carbamoyl-4-(dimethylamino)-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(c3cc(N(C)C)cc(C(N)=O)n3)CC2)n1
InChIInChI=1S/C24H32F3N7O4/c1-14(12-37-4)38-23-31-19(22(36)29-13-24(25,26)27)11-20(32-23)34-7-5-15(6-8-34)17-9-16(33(2)3)10-18(30-17)21(28)35/h9-11,14-15H,5-8,12-13H2,1-4H3,(H2,28,35)(H,29,36)/t14-/m1/s1
InChIKeyZYFTXLLFFTZMIC-CQSZACIVSA-N
XLogP2.13
TPSA135.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.56
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[6-carbamoyl-4-(dimethylamino)-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-4-(dimethylamino)-2-pyridinyl]piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (CID 121409030) is 6-[4-[6-carbamoyl-4-(dimethylamino)-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-4-(dimethylamino)-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-4-(dimethylamino)-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(c3cc(N(C)C)cc(C(N)=O)n3)CC2)n1.
What is the InChIKey of 6-[4-[6-carbamoyl-4-(dimethylamino)-2-pyridinyl]piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is ZYFTXLLFFTZMIC-CQSZACIVSA-N. The full InChI is InChI=1S/C24H32F3N7O4/c1-14(12-37-4)38-23-31-19(22(36)29-13-24(25,26)27)11-20(32-23)34-7-5-15(6-8-34)17-9-16(33(2)3)10-18(30-17)21(28)35/h9-11,14-15H,5-8,12-13H2,1-4H3,(H2,28,35)(H,29,36)/t14-/m1/s1.
What are the key properties of 6-[4-[6-carbamoyl-4-(dimethylamino)-2-pyridinyl]piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
6-[4-[6-carbamoyl-4-(dimethylamino)-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 539.56 g/mol, XLogP of 2.13, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[6-carbamoyl-4-(dimethylamino)-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 121409030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).