3-amino-N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylnaphthalene-2-carboxamide

C26H29F3N6O2 — CID 130442293

About 3-amino-N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylnaphthalene-2-carboxamide

3-amino-N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylnaphthalene-2-carboxamide (PubChem CID 130442293) has the molecular formula C26H29F3N6O2 and a molecular weight of 514.55 g/mol. Its IUPAC name is 3-amino-N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylnaphthalene-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylnaphthalene-2-carboxamide
• PubChem CID: 130442293
• Molecular Formula: C26H29F3N6O2
• Molecular Weight: 514.55 g/mol
• Exact Mass: 514.23
• IUPAC Name: 3-amino-N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylnaphthalene-2-carboxamide
• SMILES: Nc1cc2ccc(N3CCOCC3)cc2cc1C(=O)Nc1cnccc1N1C[C@@H](N)C[C@@H](C(F)(F)F)C1
• InChI: InChI=1S/C26H29F3N6O2/c27-26(28,29)18-12-19(30)15-35(14-18)24-3-4-32-13-23(24)33-25(36)21-10-17-9-20(34-5-7-37-8-6-34)2-1-16(17)11-22(21)31/h1-4,9-11,13,18-19H,5-8,12,14-15,30-31H2,(H,33,36)/t18-,19+/m1/s1
• InChIKey: DAVVIKVTWKYXBH-MOPGFXCFSA-N
• XLogP: 3.62
• TPSA: 109.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.55
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylnaphthalene-2-carboxamide?

The IUPAC name of 3-amino-N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylnaphthalene-2-carboxamide (CID 130442293) is 3-amino-N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylnaphthalene-2-carboxamide.

What is the SMILES notation for 3-amino-N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylnaphthalene-2-carboxamide?

The canonical SMILES for 3-amino-N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylnaphthalene-2-carboxamide is Nc1cc2ccc(N3CCOCC3)cc2cc1C(=O)Nc1cnccc1N1C[C@@H](N)C[C@@H](C(F)(F)F)C1.

What is the InChIKey of 3-amino-N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylnaphthalene-2-carboxamide?

The InChIKey is DAVVIKVTWKYXBH-MOPGFXCFSA-N. The full InChI is InChI=1S/C26H29F3N6O2/c27-26(28,29)18-12-19(30)15-35(14-18)24-3-4-32-13-23(24)33-25(36)21-10-17-9-20(34-5-7-37-8-6-34)2-1-16(17)11-22(21)31/h1-4,9-11,13,18-19H,5-8,12,14-15,30-31H2,(H,33,36)/t18-,19+/m1/s1.

What are the key properties of 3-amino-N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylnaphthalene-2-carboxamide?

3-amino-N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylnaphthalene-2-carboxamide has a molecular weight of 514.55 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-7-morpholin-4-ylnaphthalene-2-carboxamide is sourced from PubChem (CID 130442293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).