N,5-dimethylpyridin-2-amine;N-ethyl-N-methylpentan-2-amine;2-formyl-N,N-dimethyl-3-(pentanoylamino)furo[3,2-b]pyridine-5-carboxamide

C31H48N6O4 — CID 142922474

About N,5-dimethylpyridin-2-amine;N-ethyl-N-methylpentan-2-amine;2-formyl-N,N-dimethyl-3-(pentanoylamino)furo[3,2-b]pyridine-5-carboxamide

N,5-dimethylpyridin-2-amine;N-ethyl-N-methylpentan-2-amine;2-formyl-N,N-dimethyl-3-(pentanoylamino)furo[3,2-b]pyridine-5-carboxamide (PubChem CID 142922474) has the molecular formula C31H48N6O4 and a molecular weight of 568.76 g/mol. Its IUPAC name is N,5-dimethylpyridin-2-amine;N-ethyl-N-methylpentan-2-amine;2-formyl-N,N-dimethyl-3-(pentanoylamino)furo[3,2-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N,5-dimethylpyridin-2-amine;N-ethyl-N-methylpentan-2-amine;2-formyl-N,N-dimethyl-3-(pentanoylamino)furo[3,2-b]pyridine-5-carboxamide
• PubChem CID: 142922474
• Molecular Formula: C31H48N6O4
• Molecular Weight: 568.76 g/mol
• Exact Mass: 568.37
• IUPAC Name: N,5-dimethylpyridin-2-amine;N-ethyl-N-methylpentan-2-amine;2-formyl-N,N-dimethyl-3-(pentanoylamino)furo[3,2-b]pyridine-5-carboxamide
• SMILES: CCCC(C)N(C)CC.CCCCC(=O)Nc1c(C=O)oc2ccc(C(=O)N(C)C)nc12.CNc1ccc(C)cn1
• InChI: InChI=1S/C16H19N3O4.C8H19N.C7H10N2/c1-4-5-6-13(21)18-15-12(9-20)23-11-8-7-10(17-14(11)15)16(22)19(2)3;1-5-7-8(3)9(4)6-2;1-6-3-4-7(8-2)9-5-6/h7-9H,4-6H2,1-3H3,(H,18,21);8H,5-7H2,1-4H3;3-5H,1-2H3,(H,8,9)
• InChIKey: GBGLVIIEVHUOKC-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 120.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.76
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,5-dimethylpyridin-2-amine;N-ethyl-N-methylpentan-2-amine;2-formyl-N,N-dimethyl-3-(pentanoylamino)furo[3,2-b]pyridine-5-carboxamide?

The IUPAC name of N,5-dimethylpyridin-2-amine;N-ethyl-N-methylpentan-2-amine;2-formyl-N,N-dimethyl-3-(pentanoylamino)furo[3,2-b]pyridine-5-carboxamide (CID 142922474) is N,5-dimethylpyridin-2-amine;N-ethyl-N-methylpentan-2-amine;2-formyl-N,N-dimethyl-3-(pentanoylamino)furo[3,2-b]pyridine-5-carboxamide.

What is the SMILES notation for N,5-dimethylpyridin-2-amine;N-ethyl-N-methylpentan-2-amine;2-formyl-N,N-dimethyl-3-(pentanoylamino)furo[3,2-b]pyridine-5-carboxamide?

The canonical SMILES for N,5-dimethylpyridin-2-amine;N-ethyl-N-methylpentan-2-amine;2-formyl-N,N-dimethyl-3-(pentanoylamino)furo[3,2-b]pyridine-5-carboxamide is CCCC(C)N(C)CC.CCCCC(=O)Nc1c(C=O)oc2ccc(C(=O)N(C)C)nc12.CNc1ccc(C)cn1.

What is the InChIKey of N,5-dimethylpyridin-2-amine;N-ethyl-N-methylpentan-2-amine;2-formyl-N,N-dimethyl-3-(pentanoylamino)furo[3,2-b]pyridine-5-carboxamide?

The InChIKey is GBGLVIIEVHUOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4.C8H19N.C7H10N2/c1-4-5-6-13(21)18-15-12(9-20)23-11-8-7-10(17-14(11)15)16(22)19(2)3;1-5-7-8(3)9(4)6-2;1-6-3-4-7(8-2)9-5-6/h7-9H,4-6H2,1-3H3,(H,18,21);8H,5-7H2,1-4H3;3-5H,1-2H3,(H,8,9).

What are the key properties of N,5-dimethylpyridin-2-amine;N-ethyl-N-methylpentan-2-amine;2-formyl-N,N-dimethyl-3-(pentanoylamino)furo[3,2-b]pyridine-5-carboxamide?

N,5-dimethylpyridin-2-amine;N-ethyl-N-methylpentan-2-amine;2-formyl-N,N-dimethyl-3-(pentanoylamino)furo[3,2-b]pyridine-5-carboxamide has a molecular weight of 568.76 g/mol, XLogP of 6.03, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,5-dimethylpyridin-2-amine;N-ethyl-N-methylpentan-2-amine;2-formyl-N,N-dimethyl-3-(pentanoylamino)furo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 142922474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).