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

C23H30F2N8O3 — CID 126680686

IUPAC4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide
SMILESCC[C@@H](C)NC(=O)c1nc(OCC2CC2(F)F)nc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)n1
InChIInChI=1S/C23H30F2N8O3/c1-3-12(2)28-20(35)19-30-21(32-22(31-19)36-11-14-10-23(14,24)25)33-8-6-13(7-9-33)16-5-4-15(26)17(29-16)18(27)34/h4-5,12-14H,3,6-11,26H2,1-2H3,(H2,27,34)(H,28,35)/t12-,14?/m1/s1
InChIKeyZANWRBHLEUKNER-PUODRLBUSA-N
MW504.54 g/mol
LogP1.89
Rot. Bonds9

About 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide

4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide (PubChem CID 126680686) has the molecular formula C23H30F2N8O3 and a molecular weight of 504.54 g/mol. Its IUPAC name is 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide
PubChem CID126680686
Molecular FormulaC23H30F2N8O3
Molecular Weight504.54 g/mol
Exact Mass504.24
IUPAC Name4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide
SMILESCC[C@@H](C)NC(=O)c1nc(OCC2CC2(F)F)nc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)n1
InChIInChI=1S/C23H30F2N8O3/c1-3-12(2)28-20(35)19-30-21(32-22(31-19)36-11-14-10-23(14,24)25)33-8-6-13(7-9-33)16-5-4-15(26)17(29-16)18(27)34/h4-5,12-14H,3,6-11,26H2,1-2H3,(H2,27,34)(H,28,35)/t12-,14?/m1/s1
InChIKeyZANWRBHLEUKNER-PUODRLBUSA-N
XLogP1.89
TPSA162.24 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.54
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide (CID 126680686) is 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide is CC[C@@H](C)NC(=O)c1nc(OCC2CC2(F)F)nc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)n1.
What is the InChIKey of 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide?
The InChIKey is ZANWRBHLEUKNER-PUODRLBUSA-N. The full InChI is InChI=1S/C23H30F2N8O3/c1-3-12(2)28-20(35)19-30-21(32-22(31-19)36-11-14-10-23(14,24)25)33-8-6-13(7-9-33)16-5-4-15(26)17(29-16)18(27)34/h4-5,12-14H,3,6-11,26H2,1-2H3,(H2,27,34)(H,28,35)/t12-,14?/m1/s1.
What are the key properties of 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide?
4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide has a molecular weight of 504.54 g/mol, XLogP of 1.89, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 126680686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).