N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-6-formyl-4-methoxypyridine-2-carboxamide;2-ethyl-1-methylpiperidine;toluene

C35H48FN5O4 — CID 142843600

About N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-6-formyl-4-methoxypyridine-2-carboxamide;2-ethyl-1-methylpiperidine;toluene

N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-6-formyl-4-methoxypyridine-2-carboxamide;2-ethyl-1-methylpiperidine;toluene (PubChem CID 142843600) has the molecular formula C35H48FN5O4 and a molecular weight of 621.80 g/mol. Its IUPAC name is N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-6-formyl-4-methoxypyridine-2-carboxamide;2-ethyl-1-methylpiperidine;toluene.

Molecular Properties

• Compound Name: N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-6-formyl-4-methoxypyridine-2-carboxamide;2-ethyl-1-methylpiperidine;toluene
• PubChem CID: 142843600
• Molecular Formula: C35H48FN5O4
• Molecular Weight: 621.80 g/mol
• Exact Mass: 621.37
• IUPAC Name: N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-6-formyl-4-methoxypyridine-2-carboxamide;2-ethyl-1-methylpiperidine;toluene
• SMILES: CCC1CCCCN1C.COc1cc(C=O)nc(C(=O)NCC(N)CC(C)C(=O)Nc2ccc(F)cc2)c1.Cc1ccccc1
• InChI: InChI=1S/C20H23FN4O4.C8H17N.C7H8/c1-12(19(27)25-15-5-3-13(21)4-6-15)7-14(22)10-23-20(28)18-9-17(29-2)8-16(11-26)24-18;1-3-8-6-4-5-7-9(8)2;1-7-5-3-2-4-6-7/h3-6,8-9,11-12,14H,7,10,22H2,1-2H3,(H,23,28)(H,25,27);8H,3-7H2,1-2H3;2-6H,1H3
• InChIKey: WQLYYOLTNBBYAT-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 126.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.80
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-6-formyl-4-methoxypyridine-2-carboxamide;2-ethyl-1-methylpiperidine;toluene?

The IUPAC name of N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-6-formyl-4-methoxypyridine-2-carboxamide;2-ethyl-1-methylpiperidine;toluene (CID 142843600) is N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-6-formyl-4-methoxypyridine-2-carboxamide;2-ethyl-1-methylpiperidine;toluene.

What is the SMILES notation for N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-6-formyl-4-methoxypyridine-2-carboxamide;2-ethyl-1-methylpiperidine;toluene?

The canonical SMILES for N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-6-formyl-4-methoxypyridine-2-carboxamide;2-ethyl-1-methylpiperidine;toluene is CCC1CCCCN1C.COc1cc(C=O)nc(C(=O)NCC(N)CC(C)C(=O)Nc2ccc(F)cc2)c1.Cc1ccccc1.

What is the InChIKey of N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-6-formyl-4-methoxypyridine-2-carboxamide;2-ethyl-1-methylpiperidine;toluene?

The InChIKey is WQLYYOLTNBBYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O4.C8H17N.C7H8/c1-12(19(27)25-15-5-3-13(21)4-6-15)7-14(22)10-23-20(28)18-9-17(29-2)8-16(11-26)24-18;1-3-8-6-4-5-7-9(8)2;1-7-5-3-2-4-6-7/h3-6,8-9,11-12,14H,7,10,22H2,1-2H3,(H,23,28)(H,25,27);8H,3-7H2,1-2H3;2-6H,1H3.

What are the key properties of N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-6-formyl-4-methoxypyridine-2-carboxamide;2-ethyl-1-methylpiperidine;toluene?

N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-6-formyl-4-methoxypyridine-2-carboxamide;2-ethyl-1-methylpiperidine;toluene has a molecular weight of 621.80 g/mol, XLogP of 5.64, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-5-(4-fluoroanilino)-4-methyl-5-oxopentyl]-6-formyl-4-methoxypyridine-2-carboxamide;2-ethyl-1-methylpiperidine;toluene is sourced from PubChem (CID 142843600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).