2-amino-N-[(5S)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide

C26H22F3N5O2 — CID 156830949

About 2-amino-N-[(5S)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide

2-amino-N-[(5S)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (PubChem CID 156830949) has the molecular formula C26H22F3N5O2 and a molecular weight of 493.49 g/mol. Its IUPAC name is 2-amino-N-[(5S)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[(5S)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
• PubChem CID: 156830949
• Molecular Formula: C26H22F3N5O2
• Molecular Weight: 493.49 g/mol
• Exact Mass: 493.17
• IUPAC Name: 2-amino-N-[(5S)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
• SMILES: Cc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@@H]3COCc4ncccc43)ccc2nc1N
• InChI: InChI=1S/C26H22F3N5O2/c1-15-9-17-10-16(4-7-21(17)33-24(15)30)25(35)34(12-19-6-5-18(11-32-19)26(27,28)29)23-14-36-13-22-20(23)3-2-8-31-22/h2-11,23H,12-14H2,1H3,(H2,30,33)/t23-/m1/s1
• InChIKey: PZJWLDMGTPGQSA-HSZRJFAPSA-N
• XLogP: 4.85
• TPSA: 94.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.49
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5S)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?

The IUPAC name of 2-amino-N-[(5S)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (CID 156830949) is 2-amino-N-[(5S)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.

What is the SMILES notation for 2-amino-N-[(5S)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?

The canonical SMILES for 2-amino-N-[(5S)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is Cc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@@H]3COCc4ncccc43)ccc2nc1N.

What is the InChIKey of 2-amino-N-[(5S)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?

The InChIKey is PZJWLDMGTPGQSA-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H22F3N5O2/c1-15-9-17-10-16(4-7-21(17)33-24(15)30)25(35)34(12-19-6-5-18(11-32-19)26(27,28)29)23-14-36-13-22-20(23)3-2-8-31-22/h2-11,23H,12-14H2,1H3,(H2,30,33)/t23-/m1/s1.

What are the key properties of 2-amino-N-[(5S)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?

2-amino-N-[(5S)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide has a molecular weight of 493.49 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(5S)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 156830949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).