N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(5R)-5,6,10-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl]amino]-2-pyridinyl]cyclopropanecarboxamide

C26H28N6O2 — CID 177044553

About N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(5R)-5,6,10-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl]amino]-2-pyridinyl]cyclopropanecarboxamide

N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(5R)-5,6,10-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl]amino]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 177044553) has the molecular formula C26H28N6O2 and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(5R)-5,6,10-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl]amino]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(5R)-5,6,10-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
• PubChem CID: 177044553
• Molecular Formula: C26H28N6O2
• Molecular Weight: 459.57 g/mol
• Exact Mass: 459.25
• IUPAC Name: N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(5R)-5,6,10-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
• SMILES: [2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1ncc(C)c2c1N(C)[C@H](C)c1cccnc1-2
• InChI: InChI=1S/C26H28N6O2/c1-5-20(33)18-13-28-21(31-26(34)16-8-9-16)11-19(18)30-25-24-22(14(2)12-29-25)23-17(7-6-10-27-23)15(3)32(24)4/h6-7,10-13,15-16H,5,8-9H2,1-4H3,(H2,28,29,30,31,34)/t15-/m1/s1/i1D3
• InChIKey: BAHFZUFQFVJRSU-DDOHFVCQSA-N
• XLogP: 5.04
• TPSA: 100.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.57
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(5R)-5,6,10-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl]amino]-2-pyridinyl]cyclopropanecarboxamide?

The IUPAC name of N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(5R)-5,6,10-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl]amino]-2-pyridinyl]cyclopropanecarboxamide (CID 177044553) is N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(5R)-5,6,10-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl]amino]-2-pyridinyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(5R)-5,6,10-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl]amino]-2-pyridinyl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(5R)-5,6,10-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl]amino]-2-pyridinyl]cyclopropanecarboxamide is [2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1ncc(C)c2c1N(C)[C@H](C)c1cccnc1-2.

What is the InChIKey of N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(5R)-5,6,10-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl]amino]-2-pyridinyl]cyclopropanecarboxamide?

The InChIKey is BAHFZUFQFVJRSU-DDOHFVCQSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-5-20(33)18-13-28-21(31-26(34)16-8-9-16)11-19(18)30-25-24-22(14(2)12-29-25)23-17(7-6-10-27-23)15(3)32(24)4/h6-7,10-13,15-16H,5,8-9H2,1-4H3,(H2,28,29,30,31,34)/t15-/m1/s1/i1D3.

What are the key properties of N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(5R)-5,6,10-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl]amino]-2-pyridinyl]cyclopropanecarboxamide?

N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(5R)-5,6,10-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl]amino]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 459.57 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(5R)-5,6,10-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl]amino]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 177044553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).