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

C22H30N8O4 — CID 121408993

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

4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide (PubChem CID 121408993) has the molecular formula C22H30N8O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide
• PubChem CID: 121408993
• Molecular Formula: C22H30N8O4
• Molecular Weight: 470.53 g/mol
• Exact Mass: 470.24
• IUPAC Name: 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide
• SMILES: C[C@H](CO)NC(=O)c1nc(OCC2CC2)nc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)n1
• InChI: InChI=1S/C22H30N8O4/c1-12(10-31)25-20(33)19-27-21(29-22(28-19)34-11-13-2-3-13)30-8-6-14(7-9-30)16-5-4-15(23)17(26-16)18(24)32/h4-5,12-14,31H,2-3,6-11,23H2,1H3,(H2,24,32)(H,25,33)/t12-/m1/s1
• InChIKey: RJNPECCMGNZNRF-GFCCVEGCSA-N
• XLogP: 0.23
• TPSA: 182.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.53
LogP ≤ 5	0.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide?

The IUPAC name of 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide (CID 121408993) is 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide.

What is the SMILES notation for 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide?

The canonical SMILES for 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide is C[C@H](CO)NC(=O)c1nc(OCC2CC2)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]-6-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide?

The InChIKey is RJNPECCMGNZNRF-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H30N8O4/c1-12(10-31)25-20(33)19-27-21(29-22(28-19)34-11-13-2-3-13)30-8-6-14(7-9-30)16-5-4-15(23)17(26-16)18(24)32/h4-5,12-14,31H,2-3,6-11,23H2,1H3,(H2,24,32)(H,25,33)/t12-/m1/s1.

What are the key properties of 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide?

4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 0.23, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 121408993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).