8-(tert-butylamino)-N-methoxy-N,3-dimethyl-1,7-naphthyridine-6-carboxamide;8-(tert-butylamino)-3-methyl-1,7-naphthyridine-6-carboxylic acid;1-[8-(tert-butylamino)-3-methyl-1,7-naphthyridin-6-yl]pentan-1-one;1-[8-(tert-butylamino)-3-methyl-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-ol;2,2,2-trifluoroacetaldehyde

C68H96F3N13O7 — CID 164990280

About 8-(tert-butylamino)-N-methoxy-N,3-dimethyl-1,7-naphthyridine-6-carboxamide;8-(tert-butylamino)-3-methyl-1,7-naphthyridine-6-carboxylic acid;1-[8-(tert-butylamino)-3-methyl-1,7-naphthyridin-6-yl]pentan-1-one;1-[8-(tert-butylamino)-3-methyl-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-ol;2,2,2-trifluoroacetaldehyde

8-(tert-butylamino)-N-methoxy-N,3-dimethyl-1,7-naphthyridine-6-carboxamide;8-(tert-butylamino)-3-methyl-1,7-naphthyridine-6-carboxylic acid;1-[8-(tert-butylamino)-3-methyl-1,7-naphthyridin-6-yl]pentan-1-one;1-[8-(tert-butylamino)-3-methyl-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-ol;2,2,2-trifluoroacetaldehyde (PubChem CID 164990280) has the molecular formula C68H96F3N13O7 and a molecular weight of 1264.59 g/mol. Its IUPAC name is 8-(tert-butylamino)-N-methoxy-N,3-dimethyl-1,7-naphthyridine-6-carboxamide;8-(tert-butylamino)-3-methyl-1,7-naphthyridine-6-carboxylic acid;1-[8-(tert-butylamino)-3-methyl-1,7-naphthyridin-6-yl]pentan-1-one;1-[8-(tert-butylamino)-3-methyl-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-ol;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 8-(tert-butylamino)-N-methoxy-N,3-dimethyl-1,7-naphthyridine-6-carboxamide;8-(tert-butylamino)-3-methyl-1,7-naphthyridine-6-carboxylic acid;1-[8-(tert-butylamino)-3-methyl-1,7-naphthyridin-6-yl]pentan-1-one;1-[8-(tert-butylamino)-3-methyl-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-ol;2,2,2-trifluoroacetaldehyde
• PubChem CID: 164990280
• Molecular Formula: C68H96F3N13O7
• Molecular Weight: 1264.59 g/mol
• Exact Mass: 1263.75
• IUPAC Name: 8-(tert-butylamino)-N-methoxy-N,3-dimethyl-1,7-naphthyridine-6-carboxamide;8-(tert-butylamino)-3-methyl-1,7-naphthyridine-6-carboxylic acid;1-[8-(tert-butylamino)-3-methyl-1,7-naphthyridin-6-yl]pentan-1-one;1-[8-(tert-butylamino)-3-methyl-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-ol;2,2,2-trifluoroacetaldehyde
• SMILES: CCCCC(=O)c1cc2cc(C)cnc2c(NC(C)(C)C)n1.CCCCC(O)c1cc2c(c(NC(C)(C)C)n1)NCC(C)C2.CON(C)C(=O)c1cc2cc(C)cnc2c(NC(C)(C)C)n1.Cc1cnc2c(NC(C)(C)C)nc(C(=O)O)cc2c1.O=CC(F)(F)F
• InChI: InChI=1S/C18H31N3O.C18H25N3O.C16H22N4O2.C14H17N3O2.C2HF3O/c2*1-6-7-8-15(22)14-10-13-9-12(2)11-19-16(13)17(20-14)21-18(3,4)5;1-10-7-11-8-12(15(21)20(5)22-6)18-14(13(11)17-9-10)19-16(2,3)4;1-8-5-9-6-10(13(18)19)16-12(11(9)15-7-8)17-14(2,3)4;3-2(4,5)1-6/h10,12,15,19,22H,6-9,11H2,1-5H3,(H,20,21);9-11H,6-8H2,1-5H3,(H,20,21);7-9H,1-6H3,(H,18,19);5-7H,1-4H3,(H,16,17)(H,18,19);1H
• InChIKey: GTGYAUPQLBOMEU-UHFFFAOYSA-N
• XLogP: 15.02
• TPSA: 271.59 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1264.59
LogP ≤ 5	15.02
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(tert-butylamino)-N-methoxy-N,3-dimethyl-1,7-naphthyridine-6-carboxamide;8-(tert-butylamino)-3-methyl-1,7-naphthyridine-6-carboxylic acid;1-[8-(tert-butylamino)-3-methyl-1,7-naphthyridin-6-yl]pentan-1-one;1-[8-(tert-butylamino)-3-methyl-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-ol;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 8-(tert-butylamino)-N-methoxy-N,3-dimethyl-1,7-naphthyridine-6-carboxamide;8-(tert-butylamino)-3-methyl-1,7-naphthyridine-6-carboxylic acid;1-[8-(tert-butylamino)-3-methyl-1,7-naphthyridin-6-yl]pentan-1-one;1-[8-(tert-butylamino)-3-methyl-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-ol;2,2,2-trifluoroacetaldehyde (CID 164990280) is 8-(tert-butylamino)-N-methoxy-N,3-dimethyl-1,7-naphthyridine-6-carboxamide;8-(tert-butylamino)-3-methyl-1,7-naphthyridine-6-carboxylic acid;1-[8-(tert-butylamino)-3-methyl-1,7-naphthyridin-6-yl]pentan-1-one;1-[8-(tert-butylamino)-3-methyl-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-ol;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 8-(tert-butylamino)-N-methoxy-N,3-dimethyl-1,7-naphthyridine-6-carboxamide;8-(tert-butylamino)-3-methyl-1,7-naphthyridine-6-carboxylic acid;1-[8-(tert-butylamino)-3-methyl-1,7-naphthyridin-6-yl]pentan-1-one;1-[8-(tert-butylamino)-3-methyl-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-ol;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 8-(tert-butylamino)-N-methoxy-N,3-dimethyl-1,7-naphthyridine-6-carboxamide;8-(tert-butylamino)-3-methyl-1,7-naphthyridine-6-carboxylic acid;1-[8-(tert-butylamino)-3-methyl-1,7-naphthyridin-6-yl]pentan-1-one;1-[8-(tert-butylamino)-3-methyl-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-ol;2,2,2-trifluoroacetaldehyde is CCCCC(=O)c1cc2cc(C)cnc2c(NC(C)(C)C)n1.CCCCC(O)c1cc2c(c(NC(C)(C)C)n1)NCC(C)C2.CON(C)C(=O)c1cc2cc(C)cnc2c(NC(C)(C)C)n1.Cc1cnc2c(NC(C)(C)C)nc(C(=O)O)cc2c1.O=CC(F)(F)F.

What is the InChIKey of 8-(tert-butylamino)-N-methoxy-N,3-dimethyl-1,7-naphthyridine-6-carboxamide;8-(tert-butylamino)-3-methyl-1,7-naphthyridine-6-carboxylic acid;1-[8-(tert-butylamino)-3-methyl-1,7-naphthyridin-6-yl]pentan-1-one;1-[8-(tert-butylamino)-3-methyl-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-ol;2,2,2-trifluoroacetaldehyde?

The InChIKey is GTGYAUPQLBOMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O.C18H25N3O.C16H22N4O2.C14H17N3O2.C2HF3O/c2*1-6-7-8-15(22)14-10-13-9-12(2)11-19-16(13)17(20-14)21-18(3,4)5;1-10-7-11-8-12(15(21)20(5)22-6)18-14(13(11)17-9-10)19-16(2,3)4;1-8-5-9-6-10(13(18)19)16-12(11(9)15-7-8)17-14(2,3)4;3-2(4,5)1-6/h10,12,15,19,22H,6-9,11H2,1-5H3,(H,20,21);9-11H,6-8H2,1-5H3,(H,20,21);7-9H,1-6H3,(H,18,19);5-7H,1-4H3,(H,16,17)(H,18,19);1H.

What are the key properties of 8-(tert-butylamino)-N-methoxy-N,3-dimethyl-1,7-naphthyridine-6-carboxamide;8-(tert-butylamino)-3-methyl-1,7-naphthyridine-6-carboxylic acid;1-[8-(tert-butylamino)-3-methyl-1,7-naphthyridin-6-yl]pentan-1-one;1-[8-(tert-butylamino)-3-methyl-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-ol;2,2,2-trifluoroacetaldehyde?

8-(tert-butylamino)-N-methoxy-N,3-dimethyl-1,7-naphthyridine-6-carboxamide;8-(tert-butylamino)-3-methyl-1,7-naphthyridine-6-carboxylic acid;1-[8-(tert-butylamino)-3-methyl-1,7-naphthyridin-6-yl]pentan-1-one;1-[8-(tert-butylamino)-3-methyl-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-ol;2,2,2-trifluoroacetaldehyde has a molecular weight of 1264.59 g/mol, XLogP of 15.02, 15 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(tert-butylamino)-N-methoxy-N,3-dimethyl-1,7-naphthyridine-6-carboxamide;8-(tert-butylamino)-3-methyl-1,7-naphthyridine-6-carboxylic acid;1-[8-(tert-butylamino)-3-methyl-1,7-naphthyridin-6-yl]pentan-1-one;1-[8-(tert-butylamino)-3-methyl-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-ol;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 164990280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).