6-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide

C25H32F2N6O4 — CID 121409531

IUPAC6-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide
SMILESC[C@@H](NC(=O)c1cc(N2CCC(c3cccc(C(N)=O)n3)CC2)nc(OCC2CC2(F)F)n1)C(C)(C)O
InChIInChI=1S/C25H32F2N6O4/c1-14(24(2,3)36)29-22(35)19-11-20(32-23(31-19)37-13-16-12-25(16,26)27)33-9-7-15(8-10-33)17-5-4-6-18(30-17)21(28)34/h4-6,11,14-16,36H,7-10,12-13H2,1-3H3,(H2,28,34)(H,29,35)/t14-,16?/m1/s1
InChIKeySBMJWZBTQGIFCF-IURRXHLWSA-N
MW518.57 g/mol
LogP2.28
Rot. Bonds9

About 6-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide

6-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide (PubChem CID 121409531) has the molecular formula C25H32F2N6O4 and a molecular weight of 518.57 g/mol. Its IUPAC name is 6-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide
PubChem CID121409531
Molecular FormulaC25H32F2N6O4
Molecular Weight518.57 g/mol
Exact Mass518.25
IUPAC Name6-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide
SMILESC[C@@H](NC(=O)c1cc(N2CCC(c3cccc(C(N)=O)n3)CC2)nc(OCC2CC2(F)F)n1)C(C)(C)O
InChIInChI=1S/C25H32F2N6O4/c1-14(24(2,3)36)29-22(35)19-11-20(32-23(31-19)37-13-16-12-25(16,26)27)33-9-7-15(8-10-33)17-5-4-6-18(30-17)21(28)34/h4-6,11,14-16,36H,7-10,12-13H2,1-3H3,(H2,28,34)(H,29,35)/t14-,16?/m1/s1
InChIKeySBMJWZBTQGIFCF-IURRXHLWSA-N
XLogP2.28
TPSA143.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.57
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide (CID 121409531) is 6-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide is C[C@@H](NC(=O)c1cc(N2CCC(c3cccc(C(N)=O)n3)CC2)nc(OCC2CC2(F)F)n1)C(C)(C)O.
What is the InChIKey of 6-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide?
The InChIKey is SBMJWZBTQGIFCF-IURRXHLWSA-N. The full InChI is InChI=1S/C25H32F2N6O4/c1-14(24(2,3)36)29-22(35)19-11-20(32-23(31-19)37-13-16-12-25(16,26)27)33-9-7-15(8-10-33)17-5-4-6-18(30-17)21(28)34/h4-6,11,14-16,36H,7-10,12-13H2,1-3H3,(H2,28,34)(H,29,35)/t14-,16?/m1/s1.
What are the key properties of 6-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide?
6-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide has a molecular weight of 518.57 g/mol, XLogP of 2.28, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 121409531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).