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

C23H25F5N6O3 — CID 126680659

IUPAC6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCc1ccc(C2CCN(c3cc(C(=O)NCC(F)(F)F)nc(OCC4CC4(F)F)n3)CC2)nc1C(N)=O
InChIInChI=1S/C23H25F5N6O3/c1-12-2-3-15(31-18(12)19(29)35)13-4-6-34(7-5-13)17-8-16(20(36)30-11-23(26,27)28)32-21(33-17)37-10-14-9-22(14,24)25/h2-3,8,13-14H,4-7,9-11H2,1H3,(H2,29,35)(H,30,36)
InChIKeyIACCDTREYBYHNV-UHFFFAOYSA-N
MW528.48 g/mol
LogP2.99
Rot. Bonds8

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

6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (PubChem CID 126680659) has the molecular formula C23H25F5N6O3 and a molecular weight of 528.48 g/mol. Its IUPAC name is 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
PubChem CID126680659
Molecular FormulaC23H25F5N6O3
Molecular Weight528.48 g/mol
Exact Mass528.19
IUPAC Name6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCc1ccc(C2CCN(c3cc(C(=O)NCC(F)(F)F)nc(OCC4CC4(F)F)n3)CC2)nc1C(N)=O
InChIInChI=1S/C23H25F5N6O3/c1-12-2-3-15(31-18(12)19(29)35)13-4-6-34(7-5-13)17-8-16(20(36)30-11-23(26,27)28)32-21(33-17)37-10-14-9-22(14,24)25/h2-3,8,13-14H,4-7,9-11H2,1H3,(H2,29,35)(H,30,36)
InChIKeyIACCDTREYBYHNV-UHFFFAOYSA-N
XLogP2.99
TPSA123.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.48
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-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-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (CID 126680659) is 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-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-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is Cc1ccc(C2CCN(c3cc(C(=O)NCC(F)(F)F)nc(OCC4CC4(F)F)n3)CC2)nc1C(N)=O.
What is the InChIKey of 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is IACCDTREYBYHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F5N6O3/c1-12-2-3-15(31-18(12)19(29)35)13-4-6-34(7-5-13)17-8-16(20(36)30-11-23(26,27)28)32-21(33-17)37-10-14-9-22(14,24)25/h2-3,8,13-14H,4-7,9-11H2,1H3,(H2,29,35)(H,30,36).
What are the key properties of 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 528.48 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 126680659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).