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

C23H29F2N7O4 — CID 121409632

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

6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide (PubChem CID 121409632) has the molecular formula C23H29F2N7O4 and a molecular weight of 505.53 g/mol. Its IUPAC name is 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide
• PubChem CID: 121409632
• Molecular Formula: C23H29F2N7O4
• Molecular Weight: 505.53 g/mol
• Exact Mass: 505.22
• IUPAC Name: 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide
• SMILES: C[C@H](CO)NC(=O)c1cc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)nc(OCC2CC2(F)F)n1
• InChI: InChI=1S/C23H29F2N7O4/c1-12(10-33)28-21(35)17-8-18(31-22(30-17)36-11-14-9-23(14,24)25)32-6-4-13(5-7-32)16-3-2-15(26)19(29-16)20(27)34/h2-3,8,12-14,33H,4-7,9-11,26H2,1H3,(H2,27,34)(H,28,35)/t12-,14?/m1/s1
• InChIKey: YVHBYDLRXONNAQ-PUODRLBUSA-N
• XLogP: 1.08
• TPSA: 169.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.53
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

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)-1-hydroxypropan-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)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide (CID 121409632) is 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-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)-1-hydroxypropan-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)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide is C[C@H](CO)NC(=O)c1cc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)nc(OCC2CC2(F)F)n1.

What is the InChIKey of 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide?

The InChIKey is YVHBYDLRXONNAQ-PUODRLBUSA-N. The full InChI is InChI=1S/C23H29F2N7O4/c1-12(10-33)28-21(35)17-8-18(31-22(30-17)36-11-14-9-23(14,24)25)32-6-4-13(5-7-32)16-3-2-15(26)19(29-16)20(27)34/h2-3,8,12-14,33H,4-7,9-11,26H2,1H3,(H2,27,34)(H,28,35)/t12-,14?/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)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide?

6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide has a molecular weight of 505.53 g/mol, XLogP of 1.08, 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)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 121409632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).