6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide

C25H33F2N7O4 — CID 121409041

IUPAC6-[4-(5-amino-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(c3ccc(N)c(C(N)=O)n3)CC2)nc(OCC2CC2(F)F)n1)C(C)(C)O
InChIInChI=1S/C25H33F2N7O4/c1-13(24(2,3)37)30-22(36)18-10-19(33-23(32-18)38-12-15-11-25(15,26)27)34-8-6-14(7-9-34)17-5-4-16(28)20(31-17)21(29)35/h4-5,10,13-15,37H,6-9,11-12,28H2,1-3H3,(H2,29,35)(H,30,36)/t13-,15?/m1/s1
InChIKeyCFJNKDMIHIONLD-AFYYWNPRSA-N
MW533.58 g/mol
LogP1.86
Rot. Bonds9

About 6-[4-(5-amino-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-(5-amino-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 121409041) has the molecular formula C25H33F2N7O4 and a molecular weight of 533.58 g/mol. Its IUPAC name is 6-[4-(5-amino-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-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide
PubChem CID121409041
Molecular FormulaC25H33F2N7O4
Molecular Weight533.58 g/mol
Exact Mass533.26
IUPAC Name6-[4-(5-amino-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(c3ccc(N)c(C(N)=O)n3)CC2)nc(OCC2CC2(F)F)n1)C(C)(C)O
InChIInChI=1S/C25H33F2N7O4/c1-13(24(2,3)37)30-22(36)18-10-19(33-23(32-18)38-12-15-11-25(15,26)27)34-8-6-14(7-9-34)17-5-4-16(28)20(31-17)21(29)35/h4-5,10,13-15,37H,6-9,11-12,28H2,1-3H3,(H2,29,35)(H,30,36)/t13-,15?/m1/s1
InChIKeyCFJNKDMIHIONLD-AFYYWNPRSA-N
XLogP1.86
TPSA169.58 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.58
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 6-[4-(5-amino-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-(5-amino-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-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide (CID 121409041) is 6-[4-(5-amino-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-(5-amino-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-(5-amino-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(c3ccc(N)c(C(N)=O)n3)CC2)nc(OCC2CC2(F)F)n1)C(C)(C)O.
What is the InChIKey of 6-[4-(5-amino-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 CFJNKDMIHIONLD-AFYYWNPRSA-N. The full InChI is InChI=1S/C25H33F2N7O4/c1-13(24(2,3)37)30-22(36)18-10-19(33-23(32-18)38-12-15-11-25(15,26)27)34-8-6-14(7-9-34)17-5-4-16(28)20(31-17)21(29)35/h4-5,10,13-15,37H,6-9,11-12,28H2,1-3H3,(H2,29,35)(H,30,36)/t13-,15?/m1/s1.
What are the key properties of 6-[4-(5-amino-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-(5-amino-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 533.58 g/mol, XLogP of 1.86, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-amino-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 121409041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).